@MOLECULE FDBD03229 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0557 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0004 3 S 0.8775 -0.6037 1.4684 S.3 1 UNK -0.0680 4 C2 0.7537 -2.3421 1.2091 C.2 1 UNK 0.2719 5 O 0.1807 -2.7710 0.2259 O.2 1 UNK -0.2630 6 N 1.2941 -3.1965 2.1004 N.am 1 UNK -0.3063 7 C3 1.1911 -4.6419 1.8849 C.3 1 UNK 0.0135 8 C4 1.8816 -5.3793 3.0339 C.3 1 UNK -0.0246 9 C5 1.7741 -6.8889 2.8088 C.3 1 UNK -0.0003 10 N1 2.4371 -7.5969 3.9120 N.3 1 UNK -0.3083 11 C6 1.7257 -7.3810 5.1790 C.3 1 UNK -0.0130 12 C7 2.5636 -9.0304 3.6170 C.3 1 UNK -0.0130 13 H 1.0039 1.9031 0.0027 H 1 UNK 0.0238 14 H1 -0.5459 1.8868 -0.8726 H 1 UNK 0.0238 15 H2 -0.5289 1.8773 0.9072 H 1 UNK 0.0238 16 H3 -1.0205 -0.3814 0.0098 H 1 UNK 0.0378 17 H4 0.5123 -0.3556 -0.8948 H 1 UNK 0.0378 18 H5 1.7511 -2.8544 2.8847 H 1 UNK 0.1495 19 H6 0.1405 -4.9298 1.8476 H 1 UNK 0.0463 20 H7 1.6733 -4.9040 0.9431 H 1 UNK 0.0463 21 H8 2.9323 -5.0914 3.0712 H 1 UNK 0.0293 22 H9 1.3995 -5.1172 3.9757 H 1 UNK 0.0293 23 H10 0.7235 -7.1768 2.7716 H 1 UNK 0.0427 24 H11 2.2563 -7.1510 1.8670 H 1 UNK 0.0427 25 H12 0.7044 -7.7511 5.0899 H 1 UNK 0.0391 26 H13 2.2376 -7.9162 5.9789 H 1 UNK 0.0391 27 H14 1.7074 -6.3156 5.4085 H 1 UNK 0.0391 28 H15 3.1544 -9.1641 2.7108 H 1 UNK 0.0391 29 H16 3.0577 -9.5306 4.4499 H 1 UNK 0.0391 30 H17 1.5726 -9.4602 3.4713 H 1 UNK 0.0391 @BOND 1 1 2 1 2 1 13 1 3 1 14 1 4 1 15 1 5 2 3 1 6 2 16 1 7 2 17 1 8 3 4 1 9 4 5 2 10 4 6 am 11 6 7 1 12 6 18 1 13 7 8 1 14 7 19 1 15 7 20 1 16 8 9 1 17 8 21 1 18 8 22 1 19 9 10 1 20 9 23 1 21 9 24 1 22 10 11 1 23 10 12 1 24 11 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 12 30 1