@MOLECULE DB07033 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.0763 0.2953 -2.1073 O.2 1 noname -0.2595 2 C1 1.0667 0.4599 -1.3889 C.2 1 noname 0.1285 3 N1 0.4467 -0.4628 -0.5666 N.2 1 noname -0.1599 4 C2 0.2757 1.6600 -1.2248 C.2 1 noname 0.0903 5 C3 -0.6495 0.0118 -0.0601 C.2 1 noname 0.0361 6 C4 -0.8097 1.3553 -0.4507 C.2 1 noname 0.0374 7 C5 0.6318 3.0033 -1.6862 C.3 1 noname 0.0254 8 C6 -1.5986 -0.6627 0.7573 C.2 1 noname 0.0026 9 C7 -1.9441 2.1211 -0.0202 C.2 1 noname 0.0069 10 C8 1.2867 3.2109 -3.0189 C.2 1 noname -0.1081 11 C9 1.2388 3.8667 -0.5463 C.3 1 noname -0.0528 12 C10 -2.7398 0.0811 1.1768 C.2 1 noname -0.0089 13 C11 -2.9053 1.4539 0.8003 C.2 1 noname -0.0327 14 N2 0.6109 3.6807 -4.0773 N.3 1 noname -0.0840 15 C12 2.6244 3.0846 -3.4114 C.2 1 noname -0.0462 16 O2 -3.9916 2.1307 1.2296 O.3 1 noname -0.2915 17 C13 1.4389 3.8749 -5.1197 C.2 1 noname -0.1176 18 C14 2.7121 3.5119 -4.7303 C.2 1 noname -0.0510 19 H1 -0.3723 3.3054 -1.9840 H 1 noname 0.0414 20 H2 -1.4577 -1.7034 1.0492 H 1 noname 0.0646 21 H3 -2.0704 3.1658 -0.3045 H 1 noname 0.0657 22 H4 1.6491 3.2143 0.2245 H 1 noname 0.0240 23 H5 2.0321 4.4958 -0.9500 H 1 noname 0.0240 24 H6 0.4609 4.4958 -0.1135 H 1 noname 0.0240 25 H7 -3.4953 -0.4060 1.7932 H 1 noname 0.0650 26 H8 -0.3825 3.8628 -4.0879 H 1 noname 0.1519 27 H9 3.4494 2.7192 -2.7999 H 1 noname 0.0639 28 H10 -4.0049 2.1390 2.1895 H 1 noname 0.2181 29 H11 1.1356 4.2546 -6.0953 H 1 noname 0.0788 30 H12 3.6114 3.5543 -5.3447 H 1 noname 0.0636 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 4 6 2 6 4 7 1 7 5 8 1 8 5 6 1 9 6 9 1 10 7 10 1 11 7 11 1 12 8 12 2 13 9 13 2 14 10 14 1 15 10 15 2 16 12 13 1 17 13 16 1 18 14 17 1 19 15 18 1 20 17 18 2 21 7 19 1 22 8 20 1 23 9 21 1 24 11 22 1 25 11 23 1 26 11 24 1 27 12 25 1 28 14 26 1 29 15 27 1 30 16 28 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1