@MOLECULE 178438 73 78 1 SMALL USER_CHARGES @ATOM 1 F1 -0.4670 2.4474 -7.5517 F 1 noname -0.1579 2 C1 0.7077 1.9951 -7.2230 C.2 1 noname 0.0542 3 C2 1.4247 1.1364 -8.1120 C.2 1 noname 0.0417 4 C3 1.2947 2.3530 -5.9671 C.2 1 noname 0.0296 5 N1 0.9170 0.9644 -9.3921 N.3 1 noname -0.1113 6 C4 2.6651 0.5004 -7.7074 C.2 1 noname -0.0111 7 C5 2.5794 1.8152 -5.6228 C.2 1 noname -0.0137 8 C6 1.7927 0.9961 -10.5247 C.2 1 noname 0.1226 9 C7 3.2331 0.8408 -6.4563 C.2 1 noname -0.0241 10 C8 3.2288 2.2454 -4.4074 C.2 1 noname 0.0740 11 O1 2.9168 1.5217 -10.3741 O.2 1 noname -0.2540 12 N2 1.4749 0.4713 -11.8124 N.3 1 noname -0.1178 13 N3 2.4276 2.3771 -3.3169 N.2 1 noname -0.2347 14 C9 4.6347 2.5153 -4.2174 C.2 1 noname 0.0430 15 C10 2.3725 0.3838 -12.8470 C.2 1 noname 0.0128 16 C11 2.8241 2.7196 -2.0691 C.2 1 noname 0.1041 17 C12 5.6111 2.4731 -5.3376 C.2 1 noname 0.0384 18 C13 5.0943 2.8323 -2.9151 C.2 1 noname 0.1077 19 C14 1.8302 0.0235 -14.1193 C.2 1 noname 0.0221 20 C15 3.7887 0.6287 -12.7547 C.2 1 noname -0.0159 21 N4 4.1719 2.9149 -1.9127 N.2 1 noname -0.2059 22 N5 1.8816 2.8449 -1.0766 N.3 1 noname -0.0527 23 O2 5.7417 1.4797 -6.0851 O.2 1 noname -0.2883 24 N6 6.4093 3.6961 -5.4928 N.3 1 noname -0.0608 25 O3 6.4212 2.9750 -2.5390 O.3 1 noname -0.2253 26 N7 2.6954 -0.0530 -15.1897 N.2 1 noname -0.2473 27 C16 4.6699 0.5429 -13.8710 C.2 1 noname -0.0194 28 C17 0.5738 3.4405 -1.4181 C.3 1 noname 0.0325 29 C18 2.2140 2.4076 0.2758 C.3 1 noname 0.0325 30 C19 7.6015 3.7672 -4.6249 C.3 1 noname 0.0353 31 C20 6.0645 4.7205 -6.3982 C.3 1 noname 0.0034 32 C21 7.2294 4.0061 -3.1434 C.3 1 noname 0.0843 33 C22 4.0455 0.1919 -15.0945 C.2 1 noname -0.0041 34 C23 -0.2418 3.8982 -0.1536 C.3 1 noname 0.0713 35 C24 1.2077 2.9458 1.3645 C.3 1 noname 0.0713 36 C25 5.1549 5.7334 -5.7001 C.3 1 noname -0.0519 37 C26 8.5054 4.2009 -2.3221 C.3 1 noname -0.0342 38 C27 6.3674 5.2700 -3.1306 C.3 1 noname -0.0342 39 O4 0.6837 4.2197 0.9142 O.3 1 noname -0.3721 40 C28 -1.0523 2.7455 0.4666 C.3 1 noname -0.0229 41 C29 -0.0776 2.1001 1.4751 C.3 1 noname -0.0229 42 H1 0.7723 3.0234 -5.2846 H 1 noname 0.0660 43 H2 -0.0767 0.8181 -9.4981 H 1 noname 0.1386 44 H3 3.1682 -0.2301 -8.3409 H 1 noname 0.0640 45 H4 4.1588 0.3602 -6.1399 H 1 noname 0.0630 46 H5 0.5423 0.1356 -12.0066 H 1 noname 0.1385 47 H6 0.7721 -0.1899 -14.2710 H 1 noname 0.0856 48 H7 4.2166 0.8933 -11.7878 H 1 noname 0.0640 49 H8 5.7407 0.7316 -13.7946 H 1 noname 0.0639 50 H9 0.8160 4.3380 -1.9872 H 1 noname 0.0462 51 H10 0.0132 2.6322 -1.8876 H 1 noname 0.0462 52 H11 2.1125 1.3228 0.2451 H 1 noname 0.0462 53 H12 3.1856 2.8586 0.4778 H 1 noname 0.0462 54 H13 8.0609 2.7805 -4.6840 H 1 noname 0.0465 55 H14 8.1519 4.6457 -4.9618 H 1 noname 0.0465 56 H15 7.0032 5.2182 -6.6418 H 1 noname 0.0433 57 H16 5.4880 4.2302 -7.1826 H 1 noname 0.0433 58 H17 4.6332 0.1059 -16.0085 H 1 noname 0.0839 59 H18 -0.8584 4.7521 -0.4343 H 1 noname 0.0616 60 H19 1.7407 3.0186 2.3125 H 1 noname 0.0616 61 H20 5.2522 5.6251 -4.6198 H 1 noname 0.0243 62 H21 5.4443 6.7431 -5.9915 H 1 noname 0.0243 63 H22 4.1200 5.5538 -5.9915 H 1 noname 0.0243 64 H23 8.2631 4.1639 -1.2600 H 1 noname 0.0260 65 H24 9.2155 3.4091 -2.5605 H 1 noname 0.0260 66 H25 8.9468 5.1686 -2.5605 H 1 noname 0.0260 67 H26 6.1675 5.5631 -2.0999 H 1 noname 0.0260 68 H27 6.8955 6.0752 -3.6414 H 1 noname 0.0260 69 H28 5.4250 5.0723 -3.6414 H 1 noname 0.0260 70 H29 -1.8775 3.1819 1.0293 H 1 noname 0.0294 71 H30 -1.2533 2.0173 -0.3192 H 1 noname 0.0294 72 H31 0.1527 1.0954 1.1208 H 1 noname 0.0294 73 H32 -0.4872 2.2450 2.4748 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 19 47 1 53 20 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