@MOLECULE 119058012 437 443 1 SMALL USER_CHARGES @ATOM 1 S1 1.5167 -18.3567 3.4944 S.3 1 noname -0.0918 2 S2 1.0057 -19.0031 1.5564 S.3 1 noname -0.0918 3 S3 9.5832 -18.5309 3.5001 S.3 1 noname -0.0918 4 S4 10.2858 -18.6170 1.4995 S.3 1 noname -0.0918 5 S5 0.9879 -8.6162 2.7350 S.3 1 noname -0.1652 6 S6 2.8546 -15.7757 -0.9901 S.3 1 noname -0.0918 7 S7 1.6273 -14.3131 -1.8646 S.3 1 noname -0.0918 8 O1 -4.6452 -23.0187 6.9384 O.3 1 noname -0.3916 9 O2 3.2091 -22.5703 2.1069 O.3 1 noname -0.3916 10 O3 -2.8932 -18.8811 9.3538 O.2 1 noname -0.2874 11 O4 -0.6701 -20.3992 4.8168 O.2 1 noname -0.2899 12 O5 -2.6267 -20.3721 11.7633 O.3 1 noname -0.3911 13 O6 0.9320 -21.5767 6.5611 O.2 1 noname -0.2901 14 O7 4.3362 -19.6695 6.1551 O.2 1 noname -0.2875 15 O8 1.0521 -22.1548 10.2802 O.2 1 noname -0.2910 16 O9 7.8821 -22.4801 7.1060 O.3 1 noname -0.3941 17 O10 -0.4147 -15.3281 5.7938 O.2 1 noname -0.2896 18 O11 6.9794 -18.1460 5.5158 O.2 1 noname -0.2899 19 O12 1.5257 -16.8653 10.2804 O.3 1 noname -0.3941 20 O13 0.1215 -14.5451 10.3028 O.2 1 noname -0.2893 21 O14 10.3597 -20.2541 7.0547 O.2 1 noname -0.2899 22 O15 -3.6440 -11.8262 9.3474 O.2 1 noname -0.2902 23 O16 1.3255 -18.2615 -1.4253 O.2 1 noname -0.2897 24 O17 2.4346 -22.7670 -2.1006 O.2 1 noname -0.2892 25 O18 -0.7071 -20.8112 -4.5841 O.2 1 noname -0.2900 26 O19 3.8322 -24.2041 -4.2063 O.3 1 noname -0.3941 27 O20 0.0764 -13.3296 7.4591 O.2 1 noname -0.2911 28 O21 7.0616 -22.2285 -4.4257 O.2 1 noname -0.2891 29 O22 -2.9222 -19.0100 -5.6163 O.2 1 noname -0.2900 30 O23 9.0952 -22.3094 -0.0559 O.3 1 noname -0.3911 31 O24 10.1982 -20.2504 -1.7702 O.2 1 noname -0.2896 32 O25 7.0455 -17.1189 -3.0125 O.2 1 noname -0.2897 33 O26 2.9419 -12.6805 6.4287 O.2 1 noname -0.2900 34 O27 -4.5217 -15.7139 -7.0893 O.2 1 noname -0.2898 35 O28 3.8784 -14.2857 2.0574 O.2 1 noname -0.2900 36 O29 5.8635 -17.4258 1.4735 O.2 1 noname -0.2898 37 O30 -7.0730 -19.3380 -4.4700 O.3 1 noname -0.3941 38 O31 -7.8629 -16.6861 -3.9150 O.2 1 noname -0.2893 39 O32 3.9628 -14.3907 -6.5739 O.3 1 noname -0.2861 40 O33 8.5729 -12.9920 2.4096 O.3 1 noname -0.2184 41 O34 -7.6337 -13.3337 -3.1995 O.2 1 noname -0.2899 42 O35 9.2879 -14.5447 3.8821 O.2 1 noname -0.2553 43 O36 -3.4300 -12.3783 -1.0188 O.2 1 noname -0.2900 44 O37 -0.4099 -11.5750 -2.1299 O.2 1 noname -0.2897 45 O38 -1.0399 -11.7788 -6.5051 O.2 1 noname -0.2900 46 O39 -9.3540 -13.7412 -7.9226 O.2 1 noname -0.2978 47 O40 -1.5959 -9.8912 -9.0386 O.2 1 noname -0.2899 48 O41 -0.9210 -8.0160 -5.9149 O.3 1 noname -0.2138 49 O42 -0.0437 -7.2831 -7.8256 O.2 1 noname -0.2493 50 O43 -8.4833 -6.0970 -9.5135 O.3 1 noname -0.2861 51 N1 -2.8230 -20.4347 7.7355 N.3 1 noname -0.0534 52 N2 4.1642 -21.6075 4.9903 N.3 1 noname -0.0535 53 N3 -1.3307 -18.6251 6.0601 N.3 1 noname -0.0657 54 N4 0.1275 -20.3931 9.1435 N.3 1 noname -0.0657 55 N5 2.8879 -21.7562 7.6381 N.3 1 noname -0.0683 56 N6 6.9226 -19.9117 6.9334 N.3 1 noname -0.0649 57 N7 -1.1099 -16.3206 7.6374 N.3 1 noname -0.0646 58 N8 9.2939 -18.4951 7.9042 N.3 1 noname -0.0663 59 N9 -2.0647 -14.9827 10.2617 N.3 1 noname -0.0657 60 N10 9.2294 -11.7524 8.9836 N.3 1 noname -0.3304 61 N11 3.3776 -20.8757 -1.2769 N.3 1 noname -0.0651 62 N12 12.2356 -18.0960 6.5583 N.3 1 noname -0.3196 63 N13 1.2801 -19.9412 -2.9214 N.3 1 noname -0.0661 64 N14 -1.4393 -12.3221 9.3114 N.3 1 noname -0.0684 65 N15 -7.0117 -17.1844 10.9298 N.3 1 noname -0.1252 66 N16 -0.1815 -19.3634 -6.2663 N.3 1 noname -0.0664 67 N17 5.6903 -22.5637 -2.6179 N.3 1 noname -0.0641 68 N18 8.0044 -20.7061 -2.1406 N.3 1 noname -0.0644 69 N19 0.4248 -11.4359 6.3001 N.3 1 noname -0.0674 70 N20 -2.0822 -17.3417 -6.9439 N.3 1 noname -0.0661 71 N21 7.2626 -18.2852 -1.0382 N.3 1 noname -0.0655 72 N22 -8.8977 -18.3108 11.6530 N.3 1 noname -0.1344 73 N23 -8.7131 -16.1436 12.0659 N.2 1 noname -0.2746 74 N24 2.7037 -13.7287 4.4079 N.3 1 noname -0.0664 75 N25 -4.5821 -16.7209 -5.0429 N.3 1 noname -0.0648 76 N26 5.7867 -16.0364 -0.3402 N.3 1 noname -0.0656 77 N27 5.8096 -15.0575 2.9847 N.3 1 noname -0.0660 78 N28 -7.2977 -15.3785 -5.6156 N.3 1 noname -0.0653 79 N29 -5.4286 -13.9161 -3.3783 N.3 1 noname -0.0662 80 N30 4.7777 -16.4792 7.8843 N.3 1 noname -0.1252 81 N31 -2.5262 -14.2019 -1.9919 N.3 1 noname -0.0658 82 N32 -1.2332 -12.7089 -3.9243 N.3 1 noname -0.0661 83 N33 -3.3057 -11.5308 -6.7161 N.3 1 noname -0.0664 84 N34 -3.0586 -8.7448 -7.7097 N.3 1 noname -0.0654 85 N35 -7.2271 -13.2467 -8.3729 N.3 1 noname -0.0903 86 N36 -4.5906 -7.9058 -3.1704 N.3 1 noname -0.1252 87 N37 -5.4658 -19.6111 0.3397 N.3 1 noname -0.3304 88 N38 4.7627 -18.5932 8.6928 N.3 1 noname -0.1344 89 N39 4.1136 -16.9442 10.0122 N.2 1 noname -0.2746 90 N40 -6.2313 -10.3178 -12.0553 N.3 1 noname -0.1252 91 N41 -4.5900 -5.5545 -3.6469 N.3 1 noname -0.1344 92 N42 -2.7297 -6.8335 -3.7326 N.2 1 noname -0.2746 93 N43 -7.5375 -9.7241 -13.8501 N.3 1 noname -0.1344 94 N44 -8.4603 -9.9487 -11.8336 N.2 1 noname -0.2746 95 C1 -2.1389 -20.9348 6.5705 C.3 1 noname 0.0932 96 C2 -3.2303 -21.5163 5.6406 C.3 1 noname -0.0011 97 C3 -4.4754 -21.6593 6.5173 C.3 1 noname 0.0693 98 C4 -4.2306 -20.6822 7.6891 C.3 1 noname 0.0329 99 C5 2.7375 -21.7292 5.1083 C.3 1 noname 0.0932 100 C6 2.3754 -23.0343 4.3701 C.3 1 noname -0.0011 101 C7 3.5016 -23.2093 3.3434 C.3 1 noname 0.0693 102 C8 -2.2749 -19.8629 8.8758 C.2 1 noname 0.0561 103 C9 4.7004 -22.5081 4.0078 C.3 1 noname 0.0329 104 C10 -1.3391 -19.9557 5.7813 C.2 1 noname 0.0497 105 C11 -1.2023 -20.5034 9.7061 C.3 1 noname 0.1137 106 C12 -1.3121 -20.2282 11.2609 C.3 1 noname 0.0755 107 C13 2.1664 -21.7076 6.4834 C.2 1 noname 0.0486 108 C14 4.9163 -20.6872 5.7055 C.2 1 noname 0.0560 109 C15 6.3522 -20.8952 6.0556 C.3 1 noname 0.1112 110 C16 -0.2692 -17.7162 5.7001 C.3 1 noname 0.0976 111 C17 2.5253 -21.0629 8.8414 C.3 1 noname 0.0766 112 C18 1.1807 -21.2354 9.4398 C.2 1 noname 0.0483 113 C19 -0.8548 -18.8477 11.7561 C.3 1 noname -0.0369 114 C20 6.5033 -22.2146 6.8568 C.3 1 noname 0.0675 115 C21 -0.0248 -17.5924 4.1416 C.3 1 noname 0.0280 116 C22 -0.5418 -16.4169 6.3966 C.2 1 noname 0.0503 117 C23 7.2599 -18.6344 6.6351 C.2 1 noname 0.0499 118 C24 8.0214 -17.8692 7.6635 C.3 1 noname 0.0878 119 C25 8.1067 -16.3403 7.3958 C.3 1 noname -0.0288 120 C26 -0.5148 -16.4117 8.9439 C.3 1 noname 0.1109 121 C27 8.6507 -15.5132 8.5860 C.3 1 noname -0.0501 122 C28 0.9406 -16.9195 8.9936 C.3 1 noname 0.0675 123 C29 -0.8056 -15.2261 9.8034 C.2 1 noname 0.0504 124 C30 8.6850 -14.0149 8.2037 C.3 1 noname -0.0408 125 C31 10.1270 -19.0259 6.9621 C.2 1 noname 0.0494 126 C32 2.5116 -19.6437 0.7283 C.3 1 noname 0.0280 127 C33 9.2073 -13.1636 9.3716 C.3 1 noname -0.0076 128 C34 10.8888 -18.2008 5.9980 C.3 1 noname 0.0889 129 C35 -3.0616 -14.1259 9.6639 C.3 1 noname 0.0878 130 C36 2.1906 -20.3489 -0.6386 C.3 1 noname 0.0976 131 C37 -4.4133 -14.3790 10.4010 C.3 1 noname -0.0276 132 C38 11.0466 -18.7491 4.5610 C.3 1 noname 0.0274 133 C39 -4.9591 -15.8190 10.1672 C.3 1 noname -0.0382 134 C40 -2.7309 -12.6740 9.5056 C.2 1 noname 0.0485 135 C41 1.5667 -19.4643 -1.6696 C.2 1 noname 0.0497 136 C42 0.8890 -19.1390 -4.0505 C.3 1 noname 0.0880 137 C43 -6.3069 -15.9386 10.8633 C.3 1 noname 0.0024 138 C44 2.1253 -18.4208 -4.6751 C.3 1 noname -0.0265 139 C45 3.3960 -21.9581 -2.1286 C.2 1 noname 0.0506 140 C46 3.1856 -19.2823 -5.3934 C.3 1 noname -0.0451 141 C47 4.4660 -22.0773 -3.1675 C.3 1 noname 0.1109 142 C48 -0.0127 -19.8522 -4.9953 C.2 1 noname 0.0493 143 C49 -0.9399 -11.3797 8.3658 C.3 1 noname 0.0766 144 C50 -1.2573 -19.5818 -7.1783 C.3 1 noname 0.0880 145 C51 4.0297 -22.8200 -4.4546 C.3 1 noname 0.0675 146 C52 4.3069 -18.3809 -5.9080 C.3 1 noname -0.0627 147 C53 2.6616 -20.0324 -6.6235 C.3 1 noname -0.0627 148 C54 -1.7865 -21.0284 -7.4108 C.3 1 noname -0.0265 149 C55 8.7560 -18.9374 0.5573 C.3 1 noname 0.0280 150 C56 -0.7671 -22.0322 -7.9866 C.3 1 noname -0.0451 151 C57 -0.1143 -12.0963 7.3578 C.2 1 noname 0.0477 152 C58 8.0903 -22.1251 -2.3114 C.3 1 noname 0.1135 153 C59 8.6447 -18.6560 -0.9664 C.3 1 noname 0.0976 154 C60 6.9236 -22.3913 -3.1884 C.2 1 noname 0.0511 155 C61 -2.2221 -18.6478 -6.5924 C.2 1 noname 0.0494 156 C62 -8.2024 -17.2020 11.5506 C.2 1 noname -0.1456 157 C63 8.0210 -22.7533 -0.8774 C.3 1 noname 0.0755 158 C64 8.9969 -19.8955 -1.6935 C.2 1 noname 0.0504 159 C65 -1.4377 -23.3999 -8.1433 C.3 1 noname -0.0627 160 C66 -0.2515 -21.5991 -9.3663 C.3 1 noname -0.0627 161 C67 1.0527 -12.0388 5.1413 C.3 1 noname 0.0885 162 C68 -2.4260 -16.2375 -6.1098 C.3 1 noname 0.0918 163 C69 1.4395 -10.9223 4.1419 C.3 1 noname -0.0197 164 C70 8.0741 -24.2890 -0.8567 C.3 1 noname -0.0369 165 C71 -1.6917 -14.9857 -6.6533 C.3 1 noname -0.0035 166 C72 6.5809 -17.4787 -1.9059 C.2 1 noname 0.0499 167 C73 2.2868 -12.8400 5.3712 C.2 1 noname 0.0493 168 C74 5.3127 -16.9610 -1.3172 C.3 1 noname 0.0976 169 C75 -3.9057 -16.1387 -6.0816 C.2 1 noname 0.0500 170 C76 0.2809 -10.0547 3.6263 C.3 1 noname -0.0050 171 C77 3.9070 -14.5253 4.4251 C.3 1 noname 0.0878 172 C78 -0.1972 -14.9660 -6.6475 C.2 1 noname -0.0660 173 C79 4.2430 -16.1763 -2.1273 C.3 1 noname 0.0280 174 C80 3.6688 -15.9857 4.8836 C.3 1 noname -0.0276 175 C81 -5.8847 -17.3217 -5.1640 C.3 1 noname 0.1109 176 C82 4.5238 -14.6112 3.0840 C.2 1 noname 0.0494 177 C83 6.5545 -15.1689 1.7750 C.3 1 noname 0.0970 178 C84 6.0444 -16.2909 0.9662 C.2 1 noname 0.0498 179 C85 2.9819 -16.1700 6.2369 C.3 1 noname -0.0382 180 C86 0.5351 -15.0584 -5.4415 C.2 1 noname -0.0475 181 C87 0.5272 -14.7701 -7.8490 C.2 1 noname -0.0475 182 C88 -5.8313 -18.6500 -4.3808 C.3 1 noname 0.0675 183 C89 -7.0289 -16.4366 -4.8198 C.2 1 noname 0.0505 184 C90 8.0599 -15.3667 2.0583 C.3 1 noname 0.0577 185 C91 3.7846 -15.5773 7.4119 C.3 1 noname 0.0024 186 C92 1.9290 -14.8615 -5.4177 C.2 1 noname -0.0312 187 C93 1.9275 -14.5936 -7.8278 C.2 1 noname -0.0312 188 C94 -6.9347 -14.0152 -5.3708 C.3 1 noname 0.0960 189 C95 2.6266 -14.6120 -6.6084 C.2 1 noname -0.0019 190 C96 -0.3450 -7.4798 2.1878 C.3 1 noname -0.0184 191 C97 -5.0718 -13.7428 -1.9843 C.3 1 noname 0.0878 192 C98 -1.1537 -13.7925 -1.7271 C.3 1 noname 0.0976 193 C99 -5.5872 -14.9036 -1.1023 C.3 1 noname -0.0288 194 C100 -0.1015 -14.9315 -1.8318 C.3 1 noname 0.0280 195 C101 -6.6809 -13.7061 -3.9281 C.2 1 noname 0.0495 196 C102 -8.0183 -13.1293 -6.0552 C.3 1 noname 0.0452 197 C103 -2.3065 -11.9487 -4.5136 C.3 1 noname 0.0878 198 C104 8.6720 -14.2763 2.8282 C.2 1 noname 0.1358 199 C105 -3.6339 -13.4320 -1.6713 C.2 1 noname 0.0495 200 C106 -5.0402 -16.2984 -1.4380 C.3 1 noname -0.0501 201 C107 -0.8528 -12.6428 -2.6177 C.2 1 noname 0.0497 202 C108 -2.5449 -10.5471 -3.8671 C.3 1 noname -0.0276 203 C109 -5.6063 -17.3023 -0.4351 C.3 1 noname -0.0408 204 C110 -3.3247 -11.1841 -8.1032 C.3 1 noname 0.0878 205 C111 -2.1752 -11.7559 -5.9717 C.2 1 noname 0.0493 206 C112 -3.9760 -10.3175 -3.3251 C.3 1 noname -0.0382 207 C113 -4.7710 -11.0915 -8.6392 C.3 1 noname -0.0276 208 C114 -8.2329 -13.3840 -7.4972 C.2 1 noname 0.0335 209 C115 4.5570 -17.3206 8.8808 C.2 1 noname -0.1456 210 C116 -4.9229 -18.6572 -0.6257 C.3 1 noname -0.0076 211 C117 -4.7554 -10.9593 -10.1769 C.3 1 noname -0.0382 212 C118 -4.0810 -9.1029 -2.4232 C.3 1 noname 0.0024 213 C119 -2.6165 -9.8936 -8.3090 C.2 1 noname 0.0497 214 C120 -6.1376 -10.6045 -10.6540 C.3 1 noname 0.0024 215 C121 -2.4145 -7.4701 -7.8241 C.3 1 noname 0.1040 216 C122 -3.2801 -6.3138 -7.2546 C.3 1 noname -0.0024 217 C123 -4.6319 -6.1398 -7.8601 C.2 1 noname -0.0660 218 C124 -1.0811 -7.5523 -7.1781 C.2 1 noname 0.1442 219 C125 -3.9830 -6.7109 -3.5712 C.2 1 noname -0.1456 220 C126 -7.4119 -9.9975 -12.5714 C.2 1 noname -0.1456 221 C127 -5.7752 -6.1943 -7.0278 C.2 1 noname -0.0475 222 C128 -4.8210 -5.9212 -9.2487 C.2 1 noname -0.0475 223 C129 -7.0715 -6.1577 -7.5741 C.2 1 noname -0.0312 224 C130 -6.1210 -5.8750 -9.7936 C.2 1 noname -0.0312 225 C131 -7.2457 -6.0368 -8.9650 C.2 1 noname -0.0019 226 H1 -1.5023 -21.7590 6.8952 H 1 noname 0.0569 227 H2 -3.4616 -20.8307 4.8175 H 1 noname 0.0314 228 H3 -2.9250 -22.4743 5.2059 H 1 noname 0.0314 229 H4 -5.3604 -21.3683 5.9456 H 1 noname 0.0614 230 H5 -4.5629 -21.1518 8.6206 H 1 noname 0.0462 231 H6 -4.7678 -19.7381 7.5559 H 1 noname 0.0462 232 H7 2.3072 -20.8938 4.5510 H 1 noname 0.0569 233 H8 2.3876 -23.8789 5.0657 H 1 noname 0.0314 234 H9 1.3913 -22.9827 3.8942 H 1 noname 0.0314 235 H10 3.7063 -24.2670 3.1551 H 1 noname 0.0614 236 H11 5.2886 -21.9633 3.2678 H 1 noname 0.0462 237 H12 5.3382 -23.2674 4.4388 H 1 noname 0.0462 238 H13 -1.4495 -21.5621 9.6490 H 1 noname 0.0594 239 H14 -0.6586 -20.9169 11.7949 H 1 noname 0.0619 240 H15 -3.8372 -23.2700 7.4350 H 1 noname 0.2104 241 H16 -2.0513 -18.2853 6.6217 H 1 noname 0.1319 242 H17 0.2895 -19.6853 8.4966 H 1 noname 0.1319 243 H18 6.9542 -20.9617 5.1444 H 1 noname 0.0591 244 H19 0.6274 -18.1318 6.1632 H 1 noname 0.0575 245 H20 3.7820 -22.1345 7.6016 H 1 noname 0.1316 246 H21 2.3779 -22.9527 1.7615 H 1 noname 0.2104 247 H22 3.2908 -21.2827 9.5957 H 1 noname 0.0529 248 H23 2.6013 -20.0125 8.5779 H 1 noname 0.0529 249 H24 0.1876 -18.8407 11.4570 H 1 noname 0.0257 250 H25 -0.8524 -18.7297 12.8566 H 1 noname 0.0257 251 H26 -1.4372 -18.0081 11.3312 H 1 noname 0.0257 252 H27 5.9419 -22.1563 7.7919 H 1 noname 0.0585 253 H28 6.1136 -23.0677 6.3259 H 1 noname 0.0585 254 H29 -0.0063 -16.5498 3.8292 H 1 noname 0.0410 255 H30 -0.8708 -18.0278 3.6139 H 1 noname 0.0410 256 H31 7.1178 -20.2014 7.8414 H 1 noname 0.1319 257 H32 -2.8444 -21.3008 11.5996 H 1 noname 0.2105 258 H33 7.4614 -17.9766 8.5984 H 1 noname 0.0566 259 H34 -2.0721 -16.2359 7.6313 H 1 noname 0.1319 260 H35 7.1176 -15.9598 7.1453 H 1 noname 0.0287 261 H36 8.7139 -16.1463 6.5194 H 1 noname 0.0287 262 H37 -1.0496 -17.2163 9.4016 H 1 noname 0.0590 263 H38 7.9100 -23.3273 7.5958 H 1 noname 0.2101 264 H39 8.0036 -15.6451 9.4590 H 1 noname 0.0268 265 H40 9.6563 -15.8473 8.8585 H 1 noname 0.0268 266 H41 9.5469 -18.6332 8.8329 H 1 noname 0.1318 267 H42 1.5399 -16.2680 8.4318 H 1 noname 0.0585 268 H43 1.0097 -17.9332 8.6064 H 1 noname 0.0585 269 H44 7.6746 -13.6858 7.9407 H 1 noname 0.0279 270 H45 9.3303 -13.8658 7.3317 H 1 noname 0.0279 271 H46 3.2198 -18.8331 0.5685 H 1 noname 0.0410 272 H47 2.9917 -20.3462 1.3990 H 1 noname 0.0410 273 H48 -2.3675 -15.5469 10.9935 H 1 noname 0.1318 274 H49 8.5543 -13.2882 10.2384 H 1 noname 0.0425 275 H50 10.2191 -13.4803 9.6348 H 1 noname 0.0425 276 H51 10.5016 -17.1896 5.9492 H 1 noname 0.0568 277 H52 -3.1848 -14.4623 8.6297 H 1 noname 0.0566 278 H53 1.4872 -21.1580 -0.4182 H 1 noname 0.0575 279 H54 -5.1610 -13.6525 10.0612 H 1 noname 0.0288 280 H55 -4.2718 -14.2105 11.4749 H 1 noname 0.0288 281 H56 0.8279 -17.2511 10.8637 H 1 noname 0.2101 282 H57 11.3112 -19.8056 4.6023 H 1 noname 0.0410 283 H58 11.8604 -18.2215 4.0635 H 1 noname 0.0410 284 H59 -4.2651 -16.5441 10.5922 H 1 noname 0.0280 285 H60 -5.0888 -16.0317 9.1061 H 1 noname 0.0280 286 H61 9.5773 -11.1902 9.7629 H 1 noname 0.1184 287 H62 8.2834 -11.4509 8.7415 H 1 noname 0.1184 288 H63 4.1888 -20.3480 -1.2058 H 1 noname 0.1319 289 H64 12.8203 -17.5336 5.9367 H 1 noname 0.1191 290 H65 12.1887 -17.6510 7.4771 H 1 noname 0.1191 291 H66 0.2538 -18.3283 -3.6955 H 1 noname 0.0566 292 H67 1.3926 -20.8940 -3.0673 H 1 noname 0.1318 293 H68 -6.9765 -15.1616 10.4946 H 1 noname 0.0432 294 H69 -6.1317 -15.6830 11.9083 H 1 noname 0.0432 295 H70 2.6097 -17.8058 -3.9168 H 1 noname 0.0290 296 H71 1.7333 -17.7635 -5.4512 H 1 noname 0.0290 297 H72 -0.7745 -12.8674 9.7315 H 1 noname 0.1316 298 H73 3.6134 -19.9892 -4.6825 H 1 noname 0.0298 299 H74 4.6759 -21.0544 -3.4889 H 1 noname 0.0590 300 H75 -0.3253 -10.6404 8.8795 H 1 noname 0.0529 301 H76 -1.7288 -10.8191 7.8643 H 1 noname 0.0529 302 H77 -6.4353 -17.8618 11.3167 H 1 noname 0.1306 303 H78 -0.9398 -19.1905 -8.1514 H 1 noname 0.0566 304 H79 0.4412 -18.6690 -6.5399 H 1 noname 0.1318 305 H80 3.1048 -22.3827 -4.8306 H 1 noname 0.0585 306 H81 4.8238 -22.7368 -5.1966 H 1 noname 0.0585 307 H82 3.4707 -20.6124 -7.0674 H 1 noname 0.0233 308 H83 2.2857 -19.3154 -7.3534 H 1 noname 0.0233 309 H84 1.8558 -20.7026 -6.3244 H 1 noname 0.0233 310 H85 5.0568 -18.9877 -6.4156 H 1 noname 0.0233 311 H86 4.7682 -17.8599 -5.0690 H 1 noname 0.0233 312 H87 3.8956 -17.6522 -6.6065 H 1 noname 0.0233 313 H88 5.6571 -22.9244 -1.7191 H 1 noname 0.1319 314 H89 -2.6660 -20.9946 -8.0538 H 1 noname 0.0290 315 H90 -2.1148 -21.4254 -6.4502 H 1 noname 0.0290 316 H91 7.9098 -18.4838 1.0733 H 1 noname 0.0410 317 H92 8.5390 -19.9979 0.6852 H 1 noname 0.0410 318 H93 0.0908 -22.0960 -7.3173 H 1 noname 0.0298 319 H94 9.0235 -22.4054 -2.8172 H 1 noname 0.0593 320 H95 9.2831 -17.8194 -1.2561 H 1 noname 0.0575 321 H96 7.1031 -22.4296 -0.3790 H 1 noname 0.0619 322 H97 7.1205 -20.3117 -2.2263 H 1 noname 0.1319 323 H98 0.3137 -10.4725 6.2924 H 1 noname 0.1318 324 H99 -0.7198 -24.1121 -8.5502 H 1 noname 0.0233 325 H100 -1.7838 -23.7485 -7.1703 H 1 noname 0.0233 326 H101 0.4638 -22.3347 -9.7342 H 1 noname 0.0233 327 H102 -2.2869 -23.3127 -8.8211 H 1 noname 0.0233 328 H103 0.2363 -20.6279 -9.2834 H 1 noname 0.0233 329 H104 -1.0884 -21.5272 -10.0609 H 1 noname 0.0233 330 H105 0.3146 -12.6962 4.6708 H 1 noname 0.0566 331 H106 -1.6422 -17.1564 -7.7902 H 1 noname 0.1319 332 H107 3.5573 -24.6488 -5.0352 H 1 noname 0.2101 333 H108 6.7174 -18.5876 -0.2940 H 1 noname 0.1319 334 H109 -2.0554 -16.4227 -5.0960 H 1 noname 0.0569 335 H110 2.2014 -10.2831 4.5882 H 1 noname 0.0296 336 H111 1.9131 -11.3782 3.2725 H 1 noname 0.0296 337 H112 7.2691 -24.6888 -1.4732 H 1 noname 0.0257 338 H113 7.9573 -24.6428 0.1677 H 1 noname 0.0257 339 H114 9.0338 -24.6247 -1.2498 H 1 noname 0.0257 340 H115 -8.4142 -19.0361 11.2276 H 1 noname 0.1267 341 H116 -9.0360 -18.5202 12.5900 H 1 noname 0.1267 342 H117 -2.0688 -14.0958 -6.1493 H 1 noname 0.0337 343 H118 -2.0169 -14.8681 -7.6870 H 1 noname 0.0337 344 H119 -9.5261 -16.1182 12.4964 H 1 noname 0.1898 345 H120 4.7929 -17.8144 -0.8738 H 1 noname 0.0575 346 H121 9.9475 -22.5677 -0.4649 H 1 noname 0.2105 347 H122 -0.3132 -9.7033 4.4699 H 1 noname 0.0380 348 H123 -0.3979 -10.6259 2.9930 H 1 noname 0.0380 349 H124 4.6466 -14.0651 5.0874 H 1 noname 0.0566 350 H125 2.1422 -13.8079 3.6198 H 1 noname 0.1318 351 H126 -4.0868 -16.8714 -4.2169 H 1 noname 0.1319 352 H127 3.8762 -16.7989 -2.9433 H 1 noname 0.0410 353 H128 4.6587 -15.2762 -2.5803 H 1 noname 0.0410 354 H129 3.1093 -16.5208 4.1163 H 1 noname 0.0288 355 H130 4.6591 -16.4383 4.9346 H 1 noname 0.0288 356 H131 5.9720 -15.1353 -0.6504 H 1 noname 0.1319 357 H132 -6.0285 -17.6200 -6.2035 H 1 noname 0.0590 358 H133 6.4567 -14.2350 1.2095 H 1 noname 0.0571 359 H134 1.9920 -15.7148 6.2069 H 1 noname 0.0280 360 H135 2.8948 -17.2450 6.3953 H 1 noname 0.0280 361 H136 6.2477 -15.3369 3.8037 H 1 noname 0.1319 362 H137 0.0598 -15.2537 -4.5644 H 1 noname 0.0626 363 H138 0.0476 -14.7344 -8.7525 H 1 noname 0.0626 364 H139 -5.6033 -18.4460 -3.3346 H 1 noname 0.0585 365 H140 -5.0209 -19.2635 -4.7744 H 1 noname 0.0585 366 H141 8.2101 -16.3105 2.5826 H 1 noname 0.0394 367 H142 8.5203 -15.4034 1.0709 H 1 noname 0.0394 368 H143 3.1050 -15.3261 8.2262 H 1 noname 0.0432 369 H144 4.2489 -14.6603 7.0488 H 1 noname 0.0432 370 H145 2.4403 -14.8934 -4.5362 H 1 noname 0.0650 371 H146 2.4398 -14.4388 -8.6988 H 1 noname 0.0650 372 H147 -6.0043 -13.8210 -5.9103 H 1 noname 0.0571 373 H148 -7.7084 -15.5755 -6.4735 H 1 noname 0.1319 374 H149 -5.6464 -12.8760 -1.6391 H 1 noname 0.0566 375 H150 0.0935 -6.6323 1.6609 H 1 noname 0.0343 376 H151 -0.8965 -7.1213 3.0570 H 1 noname 0.0343 377 H152 -1.0239 -8.0107 1.5204 H 1 noname 0.0343 378 H153 -1.1035 -13.4617 -0.6835 H 1 noname 0.0575 379 H154 -5.3901 -14.6786 -0.0541 H 1 noname 0.0287 380 H155 -6.6683 -14.9773 -1.2205 H 1 noname 0.0287 381 H156 -0.2257 -15.6189 -0.9950 H 1 noname 0.0410 382 H157 -0.2501 -15.4883 -2.7570 H 1 noname 0.0410 383 H158 -8.9636 -13.2353 -5.5229 H 1 noname 0.0382 384 H159 -7.6460 -12.1126 -5.9292 H 1 noname 0.0382 385 H160 -4.7405 -14.2449 -3.9762 H 1 noname 0.1318 386 H161 -3.1792 -12.6048 -4.3904 H 1 noname 0.0566 387 H162 -5.3497 -16.5773 -2.4453 H 1 noname 0.0268 388 H163 -3.9521 -16.3246 -1.3797 H 1 noname 0.0268 389 H164 -2.6664 -15.0337 -2.4713 H 1 noname 0.1319 390 H165 5.1610 -16.9600 7.1341 H 1 noname 0.1306 391 H166 -2.3004 -9.7677 -4.5888 H 1 noname 0.0288 392 H167 -1.9359 -10.4593 -2.9674 H 1 noname 0.0288 393 H168 -7.0183 -20.1773 -3.9670 H 1 noname 0.2101 394 H169 -0.9218 -13.4774 -4.4207 H 1 noname 0.1318 395 H170 -6.6789 -17.4106 -0.5955 H 1 noname 0.0279 396 H171 -5.4227 -16.9806 0.5900 H 1 noname 0.0279 397 H172 -2.8224 -11.9942 -8.6464 H 1 noname 0.0566 398 H173 -4.6681 -10.2107 -4.1604 H 1 noname 0.0280 399 H174 -4.2169 -11.1835 -2.7086 H 1 noname 0.0280 400 H175 -5.2645 -10.2221 -8.2048 H 1 noname 0.0288 401 H176 -5.3378 -11.9892 -8.3923 H 1 noname 0.0288 402 H177 -4.1555 -11.5937 -6.2526 H 1 noname 0.1318 403 H178 4.2916 -14.2344 -7.4837 H 1 noname 0.2181 404 H179 -4.0580 -10.1734 -10.4670 H 1 noname 0.0280 405 H180 -4.3930 -11.8715 -10.6509 H 1 noname 0.0280 406 H181 -5.1084 -19.0185 -1.6372 H 1 noname 0.0425 407 H182 -3.8499 -18.5498 -0.4670 H 1 noname 0.0425 408 H183 -4.7503 -9.3244 -1.5920 H 1 noname 0.0432 409 H184 -3.0831 -8.9096 -2.0295 H 1 noname 0.0432 410 H185 8.9570 -12.2630 2.9408 H 1 noname 0.2213 411 H186 -6.5119 -9.7545 -10.0835 H 1 noname 0.0432 412 H187 -6.8244 -11.4136 -10.4055 H 1 noname 0.0432 413 H188 -3.8542 -8.8072 -7.1563 H 1 noname 0.1319 414 H189 -2.2722 -7.2435 -8.8836 H 1 noname 0.0581 415 H190 -6.3495 -12.9861 -8.0562 H 1 noname 0.1271 416 H191 -7.3707 -13.4094 -9.3188 H 1 noname 0.1271 417 H192 -5.5092 -7.7308 -2.9129 H 1 noname 0.1306 418 H193 -3.3777 -6.4306 -6.1753 H 1 noname 0.0337 419 H194 -2.6903 -5.4215 -7.4641 H 1 noname 0.0337 420 H195 -5.0112 -20.5180 0.2151 H 1 noname 0.1184 421 H196 -6.4720 -19.7111 0.1909 H 1 noname 0.1184 422 H197 4.5587 -19.0776 9.5081 H 1 noname 0.1267 423 H198 4.1909 -18.9108 7.9765 H 1 noname 0.1267 424 H199 3.8937 -17.5677 10.6678 H 1 noname 0.1898 425 H200 -5.5805 -9.6381 -12.2905 H 1 noname 0.1306 426 H201 -5.6883 -6.2704 -6.0130 H 1 noname 0.0626 427 H202 -4.0218 -5.8118 -9.8815 H 1 noname 0.0626 428 H203 -5.5177 -5.6584 -3.3835 H 1 noname 0.1267 429 H204 -4.5476 -5.2261 -4.5586 H 1 noname 0.1267 430 H205 -0.0165 -8.1265 -5.5484 H 1 noname 0.2213 431 H206 -7.8813 -6.2356 -6.9528 H 1 noname 0.0650 432 H207 -6.2518 -5.7425 -10.7986 H 1 noname 0.0650 433 H208 -2.1792 -6.1007 -3.8983 H 1 noname 0.1898 434 H209 -6.6730 -9.8000 -14.2835 H 1 noname 0.1267 435 H210 -8.1583 -10.3499 -14.2551 H 1 noname 0.1267 436 H211 -9.3030 -9.7327 -12.1441 H 1 noname 0.1898 437 H212 -9.1483 -6.2280 -8.8057 H 1 noname 0.2181 @BOND 1 1 2 1 2 1 115 1 3 2 126 1 4 3 4 1 5 3 132 1 6 4 149 1 7 5 170 1 8 5 190 1 9 6 7 1 10 6 173 1 11 7 194 1 12 97 8 1 13 8 240 1 14 101 9 1 15 9 246 1 16 10 102 2 17 11 104 2 18 106 12 1 19 12 257 1 20 13 107 2 21 14 108 2 22 15 112 2 23 16 114 1 24 16 263 1 25 17 116 2 26 18 117 2 27 19 122 1 28 19 281 1 29 20 123 2 30 21 125 2 31 22 134 2 32 23 135 2 33 24 139 2 34 25 142 2 35 26 145 1 36 26 332 1 37 27 151 2 38 28 154 2 39 29 155 2 40 157 30 1 41 30 346 1 42 31 158 2 43 32 166 2 44 33 167 2 45 34 169 2 46 35 176 2 47 36 178 2 48 37 182 1 49 37 393 1 50 38 183 2 51 39 189 1 52 39 403 1 53 40 198 1 54 40 410 1 55 41 195 2 56 42 198 2 57 43 199 2 58 44 201 2 59 45 205 2 60 46 208 2 61 47 213 2 62 48 218 1 63 48 430 1 64 49 218 2 65 50 225 1 66 50 437 1 67 51 95 1 68 51 98 1 69 51 102 1 70 52 99 1 71 52 103 1 72 52 108 1 73 53 104 1 74 53 110 1 75 53 241 1 76 54 105 1 77 54 112 1 78 54 242 1 79 55 107 1 80 55 111 1 81 55 245 1 82 56 109 1 83 56 117 1 84 56 256 1 85 57 116 1 86 57 120 1 87 57 259 1 88 58 118 1 89 58 125 1 90 58 266 1 91 59 123 1 92 59 129 1 93 59 273 1 94 60 127 1 95 60 286 1 96 60 287 1 97 61 130 1 98 61 139 1 99 61 288 1 100 128 62 1 101 62 289 1 102 62 290 1 103 63 135 1 104 63 136 1 105 63 292 1 106 64 134 1 107 64 143 1 108 64 297 1 109 65 137 1 110 65 156 1 111 65 302 1 112 66 142 1 113 66 144 1 114 66 304 1 115 67 141 1 116 67 154 1 117 67 313 1 118 68 152 1 119 68 158 1 120 68 322 1 121 69 151 1 122 69 161 1 123 69 323 1 124 70 155 1 125 70 162 1 126 70 331 1 127 71 153 1 128 71 166 1 129 71 333 1 130 72 156 1 131 72 340 1 132 72 341 1 133 73 156 2 134 73 344 1 135 74 167 1 136 74 171 1 137 74 350 1 138 75 169 1 139 75 175 1 140 75 351 1 141 76 168 1 142 76 178 1 143 76 356 1 144 77 176 1 145 77 177 1 146 77 361 1 147 78 183 1 148 78 188 1 149 78 373 1 150 79 191 1 151 79 195 1 152 79 385 1 153 80 185 1 154 80 209 1 155 80 390 1 156 81 192 1 157 81 199 1 158 81 389 1 159 197 82 1 160 82 201 1 161 82 394 1 162 204 83 1 163 83 205 1 164 83 402 1 165 84 213 1 166 215 84 1 167 84 413 1 168 85 208 1 169 85 415 1 170 85 416 1 171 86 212 1 172 86 219 1 173 86 417 1 174 87 210 1 175 87 420 1 176 87 421 1 177 88 209 1 178 88 422 1 179 88 423 1 180 89 209 2 181 89 424 1 182 90 214 1 183 90 220 1 184 90 425 1 185 91 219 1 186 91 428 1 187 91 429 1 188 92 219 2 189 92 433 1 190 93 220 1 191 93 434 1 192 93 435 1 193 94 220 2 194 94 436 1 195 95 96 1 196 95 104 1 197 95 226 1 198 96 97 1 199 96 227 1 200 96 228 1 201 97 98 1 202 97 229 1 203 98 230 1 204 98 231 1 205 99 100 1 206 99 107 1 207 99 232 1 208 100 101 1 209 100 233 1 210 100 234 1 211 101 103 1 212 101 235 1 213 102 105 1 214 103 236 1 215 103 237 1 216 105 106 1 217 105 238 1 218 106 113 1 219 106 239 1 220 108 109 1 221 109 114 1 222 109 243 1 223 110 115 1 224 110 116 1 225 110 244 1 226 111 112 1 227 111 247 1 228 111 248 1 229 113 249 1 230 113 250 1 231 113 251 1 232 114 252 1 233 114 253 1 234 115 254 1 235 115 255 1 236 117 118 1 237 118 119 1 238 118 258 1 239 119 121 1 240 119 260 1 241 119 261 1 242 120 122 1 243 120 123 1 244 120 262 1 245 121 124 1 246 121 264 1 247 121 265 1 248 122 267 1 249 122 268 1 250 124 127 1 251 124 269 1 252 124 270 1 253 125 128 1 254 126 130 1 255 126 271 1 256 126 272 1 257 127 274 1 258 127 275 1 259 128 132 1 260 128 276 1 261 129 131 1 262 129 134 1 263 129 277 1 264 130 135 1 265 130 278 1 266 131 133 1 267 131 279 1 268 131 280 1 269 132 282 1 270 132 283 1 271 133 137 1 272 133 284 1 273 133 285 1 274 136 138 1 275 136 142 1 276 136 291 1 277 137 293 1 278 137 294 1 279 138 140 1 280 138 295 1 281 138 296 1 282 139 141 1 283 140 146 1 284 140 147 1 285 140 298 1 286 141 145 1 287 141 299 1 288 143 151 1 289 143 300 1 290 143 301 1 291 144 148 1 292 144 155 1 293 144 303 1 294 145 305 1 295 145 306 1 296 146 310 1 297 146 311 1 298 146 312 1 299 147 307 1 300 147 308 1 301 147 309 1 302 148 150 1 303 148 314 1 304 148 315 1 305 149 153 1 306 149 316 1 307 149 317 1 308 150 159 1 309 150 160 1 310 150 318 1 311 152 154 1 312 152 157 1 313 152 319 1 314 153 158 1 315 153 320 1 316 157 164 1 317 157 321 1 318 159 324 1 319 159 325 1 320 159 327 1 321 160 326 1 322 160 328 1 323 160 329 1 324 161 163 1 325 161 167 1 326 161 330 1 327 162 165 1 328 162 169 1 329 162 334 1 330 163 170 1 331 163 335 1 332 163 336 1 333 164 337 1 334 164 338 1 335 164 339 1 336 165 172 1 337 165 342 1 338 165 343 1 339 166 168 1 340 168 173 1 341 168 345 1 342 170 347 1 343 170 348 1 344 171 174 1 345 171 176 1 346 171 349 1 347 172 180 2 348 172 181 1 349 173 352 1 350 173 353 1 351 174 179 1 352 174 354 1 353 174 355 1 354 175 182 1 355 175 183 1 356 175 357 1 357 177 178 1 358 177 184 1 359 177 358 1 360 179 185 1 361 179 359 1 362 179 360 1 363 180 186 1 364 180 362 1 365 181 187 2 366 181 363 1 367 182 364 1 368 182 365 1 369 184 198 1 370 184 366 1 371 184 367 1 372 185 368 1 373 185 369 1 374 186 189 2 375 186 370 1 376 187 189 1 377 187 371 1 378 188 195 1 379 188 196 1 380 188 372 1 381 190 375 1 382 190 376 1 383 190 377 1 384 191 193 1 385 191 199 1 386 191 374 1 387 192 194 1 388 192 201 1 389 192 378 1 390 193 200 1 391 193 379 1 392 193 380 1 393 194 381 1 394 194 382 1 395 196 208 1 396 196 383 1 397 196 384 1 398 197 202 1 399 197 205 1 400 197 386 1 401 200 203 1 402 200 387 1 403 200 388 1 404 202 206 1 405 202 391 1 406 202 392 1 407 203 210 1 408 203 395 1 409 203 396 1 410 204 207 1 411 204 213 1 412 204 397 1 413 206 212 1 414 206 398 1 415 206 399 1 416 207 211 1 417 207 400 1 418 207 401 1 419 210 406 1 420 210 407 1 421 211 214 1 422 211 404 1 423 211 405 1 424 212 408 1 425 212 409 1 426 214 411 1 427 214 412 1 428 215 216 1 429 215 218 1 430 215 414 1 431 216 217 1 432 216 418 1 433 216 419 1 434 217 221 2 435 217 222 1 436 221 223 1 437 221 426 1 438 222 224 2 439 222 427 1 440 223 225 2 441 223 431 1 442 224 225 1 443 224 432 1 @SUBSTRUCTURE 1 noname 1