@MOLECULE **** 30 32 1 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2723 4.0490 -0.2501 C.ar 1 **** 0.0000 2 C -0.5201 3.6416 0.8078 C.ar 1 **** 0.0000 3 C -0.6761 2.2786 1.0592 C.ar 1 **** 0.0000 4 C -0.0462 1.2844 0.2708 C.ar 1 **** 0.0000 5 C 0.7492 1.7021 -0.8040 C.ar 1 **** 0.0000 6 C 0.8973 3.0889 -1.0449 C.ar 1 **** 0.0000 7 C 1.4752 0.8260 -1.7293 C.2 1 **** 0.0000 8 C 1.5348 -0.5079 -1.7987 C.2 1 **** 0.0000 9 C 0.8938 -1.5363 -0.9725 C.ar 1 **** 0.0000 10 C 1.1636 -2.8719 -1.3550 C.ar 1 **** 0.0000 11 C 0.6300 -3.9610 -0.6670 C.ar 1 **** 0.0000 12 C -0.1905 -3.7373 0.4236 C.ar 1 **** 0.0000 13 C -0.4660 -2.4270 0.8142 C.ar 1 **** 0.0000 14 C 0.0694 -1.3046 0.1360 C.ar 1 **** 0.0000 15 N -0.3100 -0.0468 0.6333 N.am 1 **** 0.0000 16 C -1.1281 -0.1403 1.7270 C.2 1 **** 0.0000 17 O -0.6516 -0.1768 2.8364 O.2 1 **** 0.0000 18 N -2.4863 -0.1925 1.5633 N.am 1 **** 0.0000 19 H 0.4080 5.1198 -0.4624 H 1 **** 0.0000 20 H -1.0221 4.3850 1.4445 H 1 **** 0.0000 21 H -1.3115 1.9641 1.9003 H 1 **** 0.0000 22 H 1.5251 3.4196 -1.8854 H 1 **** 0.0000 23 H 2.0681 1.3529 -2.4914 H 1 **** 0.0000 24 H 2.1688 -0.8982 -2.6085 H 1 **** 0.0000 25 H 1.8146 -3.0566 -2.2223 H 1 **** 0.0000 26 H 0.8595 -4.9877 -0.9883 H 1 **** 0.0000 27 H -0.6216 -4.5844 0.9775 H 1 **** 0.0000 28 H -1.1229 -2.2591 1.6804 H 1 **** 0.0000 29 H -3.0911 -0.2616 2.3718 H 1 **** 0.0000 30 H -2.8855 -0.1619 0.6339 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 6 2 3 1 19 1 4 2 3 2 5 2 20 1 6 3 4 1 7 3 21 1 8 4 5 2 9 4 15 1 10 5 6 1 11 5 7 1 12 6 22 1 13 7 8 2 14 7 23 1 15 8 9 1 16 8 24 1 17 9 10 1 18 9 14 2 19 10 11 2 20 10 25 1 21 11 12 1 22 11 26 1 23 12 13 2 24 12 27 1 25 13 14 1 26 13 28 1 27 14 15 1 28 15 16 1 29 16 17 2 30 16 18 1 31 18 29 1 32 18 30 1