@MOLECULE DB04367 29 31 1 SMALL USER_CHARGES @ATOM 1 O1 1.0265 -1.2028 -1.6077 O.3 1 noname -0.2561 2 C1 0.5115 -0.4881 -0.6246 C.2 1 noname 0.0062 3 N1 -0.2879 -1.1042 0.1733 N.2 1 noname -0.2197 4 C2 0.8899 0.8389 -0.5656 C.2 1 noname -0.0594 5 C3 -0.8683 -0.6053 1.3431 C.3 1 noname 0.0460 6 N2 2.0214 1.3114 -1.0984 N.3 1 noname -0.0448 7 C4 0.1300 1.8888 -0.0539 C.2 1 noname 0.0013 8 C5 -1.6912 0.7029 1.2052 C.3 1 noname -0.0056 9 C6 2.0754 2.6349 -0.8795 C.2 1 noname -0.0955 10 C7 -1.2438 1.7448 0.2666 C.2 1 noname 0.0103 11 C8 0.9214 3.0322 -0.2026 C.2 1 noname -0.0280 12 C9 -2.1523 2.3482 -0.5437 C.2 1 noname -0.0065 13 N3 -1.8736 3.1097 -1.5746 N.3 1 noname 0.0225 14 C10 -3.4662 2.0627 -0.6721 C.2 1 noname 0.0350 15 C11 -2.9118 3.0234 -2.5427 C.2 1 noname 0.0131 16 O2 -4.2086 1.5084 0.2681 O.3 1 noname -0.2526 17 N4 -3.8919 2.4019 -1.8260 N.2 1 noname -0.1712 18 N5 -2.9232 3.4201 -3.7544 N.2 1 noname -0.2289 19 H1 0.9240 -2.1370 -1.4119 H 1 noname 0.2199 20 H2 -1.5612 -1.3958 1.6312 H 1 noname 0.0518 21 H3 -0.0055 -0.3815 1.9705 H 1 noname 0.0518 22 H4 2.7166 0.7624 -1.5834 H 1 noname 0.1523 23 H5 -2.6600 0.4020 0.8064 H 1 noname 0.0335 24 H6 -1.6304 1.1940 2.1764 H 1 noname 0.0335 25 H7 2.9037 3.2700 -1.1934 H 1 noname 0.0789 26 H8 0.6846 4.0387 0.1423 H 1 noname 0.0642 27 H9 -1.0251 3.6561 -1.6151 H 1 noname 0.1374 28 H10 -4.1530 0.5526 0.1978 H 1 noname 0.2199 29 H11 -2.9291 2.6199 -4.3706 H 1 noname 0.1904 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 1 8 6 9 1 9 7 10 1 10 7 11 1 11 8 10 1 12 9 11 2 13 10 12 2 14 12 13 1 15 12 14 1 16 13 15 1 17 14 16 1 18 14 17 2 19 15 18 2 20 15 17 1 21 1 19 1 22 5 20 1 23 5 21 1 24 6 22 1 25 8 23 1 26 8 24 1 27 9 25 1 28 11 26 1 29 13 27 1 30 16 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1