@MOLECULE 178373 73 78 1 SMALL USER_CHARGES @ATOM 1 F1 -0.4764 2.4478 -7.5386 F 1 noname -0.1579 2 C1 0.7001 1.9948 -7.2171 C.2 1 noname 0.0542 3 C2 1.4108 1.1357 -8.1138 C.2 1 noname 0.0417 4 C3 1.2930 2.3529 -5.9624 C.2 1 noname 0.0296 5 N1 0.8991 0.9531 -9.3901 N.3 1 noname -0.1107 6 C4 2.6610 0.5088 -7.7138 C.2 1 noname -0.0111 7 C5 2.5832 1.8179 -5.6243 C.2 1 noname -0.0137 8 C6 1.7790 0.9938 -10.5193 C.2 1 noname 0.1274 9 C7 3.2393 0.8508 -6.4659 C.2 1 noname -0.0241 10 C8 3.2313 2.2440 -4.4061 C.2 1 noname 0.0740 11 O1 2.8949 1.5335 -10.3583 O.2 1 noname -0.2529 12 N2 1.4868 0.4702 -11.8094 N.3 1 noname -0.0993 13 N3 2.4282 2.3758 -3.3182 N.2 1 noname -0.2347 14 C9 4.6366 2.5153 -4.2177 C.2 1 noname 0.0430 15 C10 2.4228 0.3974 -12.8187 C.2 1 noname 0.0367 16 C11 2.8221 2.7179 -2.0694 C.2 1 noname 0.1041 17 C12 5.6066 2.4701 -5.3419 C.2 1 noname 0.0384 18 C13 5.0952 2.8333 -2.9162 C.2 1 noname 0.1077 19 N4 1.9137 0.0516 -14.0557 N.2 1 noname -0.2306 20 C14 3.8369 0.6502 -12.6864 C.2 1 noname -0.0020 21 N5 4.1712 2.9151 -1.9131 N.2 1 noname -0.2059 22 N6 1.8802 2.8424 -1.0766 N.3 1 noname -0.0527 23 O2 5.7337 1.4777 -6.0912 O.2 1 noname -0.2883 24 N7 6.4050 3.6975 -5.4952 N.3 1 noname -0.0608 25 O3 6.4207 2.9761 -2.5396 O.3 1 noname -0.2253 26 C15 2.6571 -0.0632 -15.2119 C.2 1 noname 0.0031 27 C16 4.6355 0.5383 -13.8660 C.2 1 noname -0.0347 28 C17 0.5725 3.4395 -1.4187 C.3 1 noname 0.0325 29 C18 2.2125 2.4061 0.2754 C.3 1 noname 0.0325 30 C19 7.5988 3.7629 -4.6329 C.3 1 noname 0.0353 31 C20 6.0561 4.7266 -6.3938 C.3 1 noname 0.0034 32 C21 7.2340 4.0028 -3.1501 C.3 1 noname 0.0843 33 C22 4.0481 0.1912 -15.1008 C.2 1 noname -0.0294 34 C23 -0.2421 3.8981 -0.1541 C.3 1 noname 0.0713 35 C24 1.2071 2.9455 1.3646 C.3 1 noname 0.0713 36 C25 5.1493 5.7356 -5.6864 C.3 1 noname -0.0519 37 C26 8.5142 4.1918 -2.3340 C.3 1 noname -0.0342 38 C27 6.3792 5.2717 -3.1343 C.3 1 noname -0.0342 39 O4 0.6840 4.2194 0.9133 O.3 1 noname -0.3721 40 C28 -1.0532 2.7463 0.4672 C.3 1 noname -0.0229 41 C29 -0.0793 2.1014 1.4765 C.3 1 noname -0.0229 42 H1 0.7715 3.0210 -5.2770 H 1 noname 0.0660 43 H2 -0.0927 0.7940 -9.4949 H 1 noname 0.1386 44 H3 3.1653 -0.2184 -8.3502 H 1 noname 0.0640 45 H4 4.1724 0.3784 -6.1588 H 1 noname 0.0630 46 H5 0.5598 0.1299 -12.0212 H 1 noname 0.1400 47 H6 4.2858 0.9164 -11.7295 H 1 noname 0.0656 48 H7 2.1769 -0.3369 -16.1514 H 1 noname 0.0839 49 H8 5.7093 0.7205 -13.8231 H 1 noname 0.0624 50 H9 0.8154 4.3368 -1.9879 H 1 noname 0.0462 51 H10 0.0108 2.6318 -1.8879 H 1 noname 0.0462 52 H11 2.1103 1.3214 0.2452 H 1 noname 0.0462 53 H12 3.1845 2.8566 0.4765 H 1 noname 0.0462 54 H13 8.0534 2.7742 -4.6946 H 1 noname 0.0465 55 H14 8.1516 4.6390 -4.9721 H 1 noname 0.0465 56 H15 6.9937 5.2257 -6.6388 H 1 noname 0.0433 57 H16 5.4763 4.2403 -7.1783 H 1 noname 0.0433 58 H17 4.6808 0.1181 -15.9854 H 1 noname 0.0638 59 H18 -0.8580 4.7523 -0.4352 H 1 noname 0.0616 60 H19 1.7406 3.0181 2.3124 H 1 noname 0.0616 61 H20 5.2516 5.6218 -4.6072 H 1 noname 0.0243 62 H21 5.4371 6.7468 -5.9740 H 1 noname 0.0243 63 H22 4.1132 5.5570 -5.9740 H 1 noname 0.0243 64 H23 8.2760 4.1566 -1.2709 H 1 noname 0.0260 65 H24 9.2194 3.3962 -2.5748 H 1 noname 0.0260 66 H25 8.9595 5.1571 -2.5748 H 1 noname 0.0260 67 H26 6.1822 5.5642 -2.1030 H 1 noname 0.0260 68 H27 6.9114 6.0746 -3.6444 H 1 noname 0.0260 69 H28 5.4352 5.0802 -3.6444 H 1 noname 0.0260 70 H29 -1.8784 3.1837 1.0292 H 1 noname 0.0294 71 H30 -1.2544 2.0176 -0.3180 H 1 noname 0.0294 72 H31 0.1499 1.0959 1.1237 H 1 noname 0.0294 73 H32 -0.4886 2.2482 2.4760 H 1 noname 0.0294 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 10 13 2 14 10 14 1 15 12 15 1 16 13 16 1 17 14 17 1 18 14 18 2 19 15 19 2 20 15 20 1 21 16 21 2 22 16 22 1 23 17 23 2 24 17 24 1 25 18 25 1 26 18 21 1 27 19 26 1 28 20 27 2 29 22 28 1 30 22 29 1 31 24 30 1 32 24 31 1 33 25 32 1 34 26 33 2 35 27 33 1 36 28 34 1 37 29 35 1 38 30 32 1 39 31 36 1 40 32 37 1 41 32 38 1 42 34 39 1 43 34 40 1 44 35 41 1 45 35 39 1 46 40 41 1 47 4 42 1 48 5 43 1 49 6 44 1 50 9 45 1 51 12 46 1 52 20 47 1 53 26 48 1 54 27 49 1 55 28 50 1 56 28 51 1 57 29 52 1 58 29 53 1 59 30 54 1 60 30 55 1 61 31 56 1 62 31 57 1 63 33 58 1 64 34 59 1 65 35 60 1 66 36 61 1 67 36 62 1 68 36 63 1 69 37 64 1 70 37 65 1 71 37 66 1 72 38 67 1 73 38 68 1 74 38 69 1 75 40 70 1 76 40 71 1 77 41 72 1 78 41 73 1 @SUBSTRUCTURE 1 noname 1