@MOLECULE platencin 58 61 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.7993 3.2505 -0.0389 O.2 1 UNL1111111 -0.4509 2 O 1.1982 -0.5249 -1.4671 O.2 1 UNL1111111 -0.5180 3 O 4.2487 1.5342 0.9544 O.3 1 UNL1111111 -0.4615 4 O 2.3639 -2.5551 -0.2470 O.3 1 UNL1111111 -0.4110 5 O 8.0551 0.0809 -0.0531 O.3 1 UNL1111111 -0.5360 6 O 6.8961 1.7979 0.7571 O.2 1 UNL1111111 -0.5804 7 N 2.0149 0.0482 0.5715 N.am 1 UNL1111111 -0.5409 8 C -4.7449 0.3694 0.5150 C.3 1 UNL1111111 0.0337 9 C -3.3238 0.0413 -0.0224 C.3 1 UNL1111111 -0.1275 10 C -4.6505 -2.0740 -0.3464 C.3 1 UNL1111111 -0.1196 11 C -3.3694 -1.3157 -0.7512 C.3 1 UNL1111111 -0.2737 12 C -2.6638 1.1681 -0.8453 C.3 1 UNL1111111 -0.0369 13 C -5.8492 0.1309 -0.5406 C.3 1 UNL1111111 -0.2775 14 C -4.9988 -0.6320 1.6771 C.3 1 UNL1111111 -0.3117 15 C -5.8642 -1.3494 -0.9637 C.3 1 UNL1111111 -0.2694 16 C -4.7941 -2.0246 1.1528 C.2 1 UNL1111111 0.0610 17 C -4.8428 1.7743 1.0213 C.2 1 UNL1111111 -0.0924 18 C -1.2043 0.8000 -1.1848 C.3 1 UNL1111111 -0.2563 19 C -2.7083 2.4561 -0.0204 C.2 1 UNL1111111 0.4567 20 C -3.3796 1.5001 -2.1614 C.3 1 UNL1111111 -0.4511 21 C -3.9253 2.7132 0.7767 C.2 1 UNL1111111 -0.3075 22 C -4.7473 -3.1010 1.9365 C.2 1 UNL1111111 -0.3997 23 C -0.3059 0.6080 0.0409 C.3 1 UNL1111111 -0.3629 24 C 1.0098 0.0054 -0.3959 C.2 1 UNL1111111 0.6032 25 C 3.2913 -0.4752 0.2766 C.ar 1 UNL1111111 -0.0491 26 C 4.4503 0.3123 0.4451 C.ar 1 UNL1111111 0.3675 27 C 3.4649 -1.7836 -0.2081 C.ar 1 UNL1111111 0.3627 28 C 5.7276 -0.1816 0.1106 C.ar 1 UNL1111111 -0.3774 29 C 4.7306 -2.2758 -0.5823 C.ar 1 UNL1111111 -0.3832 30 C 5.8446 -1.4759 -0.4221 C.ar 1 UNL1111111 0.0598 31 C 6.8876 0.6646 0.3093 C.2 1 UNL1111111 0.6926 32 H -2.6775 -0.0929 0.8892 H 1 UNL1111111 0.1443 33 H -4.6044 -3.1213 -0.7160 H 1 UNL1111111 0.1401 34 H -3.3477 -1.1850 -1.8478 H 1 UNL1111111 0.1476 35 H -2.4744 -1.9137 -0.5004 H 1 UNL1111111 0.1463 36 H -6.8322 0.4207 -0.1292 H 1 UNL1111111 0.1361 37 H -5.6891 0.7803 -1.4184 H 1 UNL1111111 0.1460 38 H -4.3254 -0.4227 2.5290 H 1 UNL1111111 0.1547 39 H -6.0271 -0.5194 2.0703 H 1 UNL1111111 0.1555 40 H -6.7991 -1.8371 -0.6356 H 1 UNL1111111 0.1380 41 H -5.8418 -1.4397 -2.0630 H 1 UNL1111111 0.1375 42 H -5.7348 1.9896 1.6134 H 1 UNL1111111 0.1503 43 H -1.1891 -0.1173 -1.8103 H 1 UNL1111111 0.1647 44 H -0.7646 1.5965 -1.8241 H 1 UNL1111111 0.1662 45 H -3.5068 0.6080 -2.7853 H 1 UNL1111111 0.1554 46 H -4.3733 1.9313 -1.9911 H 1 UNL1111111 0.1485 47 H -2.8097 2.2325 -2.7497 H 1 UNL1111111 0.1598 48 H -4.0115 3.7312 1.1581 H 1 UNL1111111 0.1766 49 H -4.6044 -4.1033 1.5695 H 1 UNL1111111 0.1511 50 H -4.8476 -3.0649 3.0082 H 1 UNL1111111 0.1498 51 H -0.1555 1.5836 0.5513 H 1 UNL1111111 0.1824 52 H -0.7778 -0.0661 0.7855 H 1 UNL1111111 0.1672 53 H 1.9417 0.6317 1.3932 H 1 UNL1111111 0.3240 54 H 4.8218 -3.2783 -0.9868 H 1 UNL1111111 0.1717 55 H 6.8354 -1.8479 -0.7051 H 1 UNL1111111 0.1721 56 H 5.1258 2.0441 1.0432 H 1 UNL1111111 0.3838 57 H 2.4968 -3.3713 -0.7964 H 1 UNL1111111 0.3280 58 H 8.8385 0.6750 0.0851 H 1 UNL1111111 0.3595 @BOND 1 45 20 1 2 47 20 1 3 20 46 1 4 20 12 1 5 41 15 1 6 34 11 1 7 44 18 1 8 43 18 1 9 2 24 2 10 37 13 1 11 18 12 1 12 18 23 1 13 54 29 1 14 15 40 1 15 15 13 1 16 15 10 1 17 12 9 1 18 12 19 1 19 57 4 1 20 11 35 1 21 11 10 1 22 11 9 1 23 33 10 1 24 55 30 1 25 29 30 ar 26 29 27 ar 27 13 36 1 28 13 8 1 29 30 28 ar 30 24 23 1 31 24 7 am 32 10 16 1 33 4 27 1 34 27 25 ar 35 5 58 1 36 5 31 1 37 1 19 2 38 9 8 1 39 9 32 1 40 19 21 1 41 23 51 1 42 23 52 1 43 28 31 1 44 28 26 ar 45 25 26 ar 46 25 7 1 47 31 6 2 48 26 3 1 49 8 17 1 50 8 14 1 51 7 53 1 52 21 17 2 53 21 48 1 54 3 56 1 55 17 42 1 56 16 14 1 57 16 22 2 58 49 22 1 59 14 39 1 60 14 38 1 61 22 50 1