@MOLECULE DB07158 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.6325 -2.3567 0.1363 O.2 1 noname -0.2714 2 C1 -0.9237 -1.1426 0.1965 C.2 1 noname 0.1091 3 N1 -2.2177 -0.6791 0.2587 N.3 1 noname -0.1249 4 C2 0.0446 -0.1126 0.2074 C.2 1 noname 0.0516 5 C3 -2.6448 0.6269 0.2781 C.2 1 noname 0.0007 6 C4 -3.2269 -1.6625 0.3085 C.3 1 noname 0.0084 7 C5 -0.3497 1.2414 0.2218 C.2 1 noname -0.0057 8 C6 1.4298 -0.1459 0.2572 C.2 1 noname 0.0470 9 C7 -1.7015 1.6832 0.2241 C.2 1 noname -0.0062 10 C8 -4.0048 0.9114 0.3150 C.2 1 noname -0.0280 11 C9 -3.5222 -2.0167 1.7673 C.3 1 noname -0.0515 12 N2 0.7759 1.9634 0.2906 N.3 1 noname 0.0017 13 N3 1.7991 1.1521 0.3298 N.2 1 noname -0.3189 14 C10 2.2961 -1.3209 0.2360 C.3 1 noname 0.0475 15 C11 -2.0242 2.9304 0.7459 C.2 1 noname -0.0318 16 C12 -4.4394 2.2316 0.2991 C.2 1 noname -0.0491 17 C13 -3.4476 3.2600 0.6938 C.2 1 noname -0.0546 18 H1 -4.1134 -1.1876 -0.1120 H 1 noname 0.0437 19 H2 -2.7982 -2.5406 -0.1743 H 1 noname 0.0437 20 H3 -4.7306 0.0992 0.3565 H 1 noname 0.0639 21 H4 -3.5451 -3.1006 1.8806 H 1 noname 0.0244 22 H5 -2.7437 -1.6010 2.4070 H 1 noname 0.0244 23 H6 -4.4882 -1.6010 2.0538 H 1 noname 0.0244 24 H7 0.8432 2.9710 0.3100 H 1 noname 0.1755 25 H8 2.5205 -1.6253 1.2583 H 1 noname 0.0296 26 H9 1.7909 -2.1355 -0.2830 H 1 noname 0.0296 27 H10 3.2236 -1.0792 -0.2830 H 1 noname 0.0296 28 H11 -1.2470 3.5784 1.1512 H 1 noname 0.0630 29 H12 -5.4672 2.4419 0.0032 H 1 noname 0.0623 30 H13 -3.7686 4.2701 0.9485 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 1 11 7 12 1 12 7 9 1 13 8 13 2 14 8 14 1 15 9 15 1 16 10 16 2 17 12 13 1 18 15 17 2 19 16 17 1 20 6 18 1 21 6 19 1 22 10 20 1 23 11 21 1 24 11 22 1 25 11 23 1 26 12 24 1 27 14 25 1 28 14 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 17 30 1 @SUBSTRUCTURE 1 noname 1