@MOLECULE DB02979 62 61 1 SMALL USER_CHARGES @ATOM 1 S1 -19.9785 0.2346 -4.3011 S.3 1 noname -0.0867 2 C1 -19.3844 -1.3561 -4.3836 C.2 1 noname -0.0526 3 C2 -18.8340 1.3464 -5.1341 C.3 1 noname -0.0112 4 N1 -18.1275 -1.5658 -4.4255 N.2 1 noname -0.2510 5 N2 -20.2180 -2.3664 -4.4041 N.3 1 noname -0.1253 6 C3 -17.6469 -2.8524 -4.4922 C.3 1 noname 0.0414 7 C4 -16.1177 -2.8242 -4.5313 C.3 1 noname -0.0334 8 C5 -15.5830 -4.2559 -4.6055 C.3 1 noname -0.0515 9 C6 -14.0538 -4.2277 -4.6446 C.3 1 noname -0.0532 10 C7 -13.5191 -5.6593 -4.7188 C.3 1 noname -0.0533 11 C8 -11.9898 -5.6312 -4.7579 C.3 1 noname -0.0533 12 C9 -11.4551 -7.0628 -4.8321 C.3 1 noname -0.0533 13 C10 -9.9259 -7.0347 -4.8712 C.3 1 noname -0.0533 14 C11 -9.3912 -8.4663 -4.9454 C.3 1 noname -0.0533 15 C12 -7.8620 -8.4382 -4.9845 C.3 1 noname -0.0533 16 C13 -7.3273 -9.8698 -5.0587 C.3 1 noname -0.0532 17 C14 -5.7980 -9.8416 -5.0978 C.3 1 noname -0.0515 18 C15 -5.2633 -11.2732 -5.1721 C.3 1 noname -0.0334 19 C16 -3.7341 -11.2451 -5.2111 C.3 1 noname 0.0414 20 N3 -3.2536 -12.5317 -5.2778 N.2 1 noname -0.2510 21 C17 -1.9966 -12.7414 -5.3198 C.2 1 noname -0.0526 22 S2 -1.4025 -14.3320 -5.4022 S.3 1 noname -0.0867 23 N4 -1.1630 -11.7311 -5.2993 N.3 1 noname -0.1253 24 C18 -2.5917 -15.3727 -6.2642 C.3 1 noname -0.0112 25 H1 -18.2619 1.9023 -4.3913 H 1 noname 0.0348 26 H2 -18.1534 0.7668 -5.7578 H 1 noname 0.0348 27 H3 -19.3937 2.0435 -5.7578 H 1 noname 0.0348 28 H4 -21.2141 -2.1992 -4.4119 H 1 noname 0.1263 29 H5 -19.8647 -3.3126 -4.4119 H 1 noname 0.1263 30 H6 -17.9619 -3.3180 -3.5583 H 1 noname 0.0515 31 H7 -18.0116 -3.2388 -5.4439 H 1 noname 0.0515 32 H8 -15.8357 -2.3343 -5.4633 H 1 noname 0.0285 33 H9 -15.7860 -2.4135 -3.5776 H 1 noname 0.0285 34 H10 -15.8650 -4.7458 -3.6735 H 1 noname 0.0267 35 H11 -15.9146 -4.6666 -5.5591 H 1 noname 0.0267 36 H12 -13.7718 -3.7378 -5.5766 H 1 noname 0.0266 37 H13 -13.7221 -3.8170 -3.6910 H 1 noname 0.0266 38 H14 -13.8010 -6.1492 -3.7868 H 1 noname 0.0266 39 H15 -13.8507 -6.0700 -5.6725 H 1 noname 0.0266 40 H16 -11.7079 -5.1413 -5.6899 H 1 noname 0.0266 41 H17 -11.6582 -5.2205 -3.8043 H 1 noname 0.0266 42 H18 -11.7371 -7.5527 -3.9001 H 1 noname 0.0266 43 H19 -11.7868 -7.4735 -5.7858 H 1 noname 0.0266 44 H20 -9.6439 -6.5448 -5.8032 H 1 noname 0.0266 45 H21 -9.5943 -6.6240 -3.9176 H 1 noname 0.0266 46 H22 -9.6732 -8.9562 -4.0135 H 1 noname 0.0266 47 H23 -9.7228 -8.8770 -5.8991 H 1 noname 0.0266 48 H24 -7.5800 -7.9482 -5.9165 H 1 noname 0.0266 49 H25 -7.5303 -8.0274 -4.0309 H 1 noname 0.0266 50 H26 -7.6092 -10.3597 -4.1268 H 1 noname 0.0266 51 H27 -7.6589 -10.2805 -6.0124 H 1 noname 0.0266 52 H28 -5.5161 -9.3517 -6.0298 H 1 noname 0.0267 53 H29 -5.4664 -9.4309 -4.1442 H 1 noname 0.0267 54 H30 -5.5453 -11.7631 -4.2401 H 1 noname 0.0285 55 H31 -5.5950 -11.6839 -6.1257 H 1 noname 0.0285 56 H32 -3.4191 -10.7795 -6.1450 H 1 noname 0.0515 57 H33 -3.3695 -10.8587 -4.2594 H 1 noname 0.0515 58 H34 -0.1670 -11.8983 -5.2914 H 1 noname 0.1263 59 H35 -1.5163 -10.7849 -5.2914 H 1 noname 0.1263 60 H36 -3.2020 -15.9069 -5.5360 H 1 noname 0.0348 61 H37 -3.2326 -14.7510 -6.8892 H 1 noname 0.0348 62 H38 -2.0604 -16.0905 -6.8892 H 1 noname 0.0348 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 1 19 19 20 1 20 20 21 2 21 21 22 1 22 21 23 1 23 22 24 1 24 3 25 1 25 3 26 1 26 3 27 1 27 5 28 1 28 5 29 1 29 6 30 1 30 6 31 1 31 7 32 1 32 7 33 1 33 8 34 1 34 8 35 1 35 9 36 1 36 9 37 1 37 10 38 1 38 10 39 1 39 11 40 1 40 11 41 1 41 12 42 1 42 12 43 1 43 13 44 1 44 13 45 1 45 14 46 1 46 14 47 1 47 15 48 1 48 15 49 1 49 16 50 1 50 16 51 1 51 17 52 1 52 17 53 1 53 18 54 1 54 18 55 1 55 19 56 1 56 19 57 1 57 23 58 1 58 23 59 1 59 24 60 1 60 24 61 1 61 24 62 1 @SUBSTRUCTURE 1 noname 1