@MOLECULE DB01442 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 -0.5843 2.3131 -0.8318 O.3 1 noname -0.2364 2 C1 -0.6444 1.8550 0.4282 C.2 1 noname 0.0462 3 C2 0.0052 1.1782 -1.4966 C.3 1 noname 0.1588 4 C3 -1.3022 2.4825 1.5189 C.2 1 noname 0.0359 5 C4 0.0601 0.6522 0.5791 C.2 1 noname 0.0369 6 O2 0.6111 0.2488 -0.5764 O.3 1 noname -0.2435 7 O3 -2.0075 3.6220 1.3559 O.3 1 noname -0.2651 8 C5 -1.1840 1.8528 2.7992 C.2 1 noname -0.0333 9 C6 0.1650 -0.0031 1.8342 C.2 1 noname -0.0324 10 C7 -1.1530 4.7394 1.5501 C.3 1 noname 0.0424 11 C8 -0.4611 0.6310 2.9546 C.2 1 noname -0.0470 12 C9 -0.3590 0.0193 4.2763 C.3 1 noname 0.0164 13 C10 0.8847 0.5525 4.9903 C.3 1 noname 0.0052 14 N1 0.9869 -0.0601 6.3139 N.3 1 noname -0.3276 15 C11 2.1302 0.2078 4.1712 C.3 1 noname -0.0497 16 H1 -0.8187 0.6427 -1.9683 H 1 noname 0.0892 17 H2 0.8181 1.5735 -2.1058 H 1 noname 0.0892 18 H3 -1.6522 2.3113 3.6702 H 1 noname 0.0654 19 H4 0.7002 -0.9475 1.9330 H 1 noname 0.0654 20 H5 -1.0198 4.9136 2.6178 H 1 noname 0.0535 21 H6 -0.1847 4.5405 1.0908 H 1 noname 0.0535 22 H7 -1.5987 5.6217 1.0908 H 1 noname 0.0535 23 H8 -1.2308 0.3622 4.8334 H 1 noname 0.0331 24 H9 -0.2076 -1.0461 4.1026 H 1 noname 0.0331 25 H10 0.8096 1.6293 5.1417 H 1 noname 0.0462 26 H11 1.8943 -0.2717 6.7037 H 1 noname 0.1186 27 H12 0.1502 -0.2717 6.8384 H 1 noname 0.1186 28 H13 2.9561 -0.0209 4.8447 H 1 noname 0.0246 29 H14 1.9234 -0.6585 3.5427 H 1 noname 0.0246 30 H15 2.3982 1.0570 3.5427 H 1 noname 0.0246 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 2 9 5 6 1 10 7 10 1 11 8 11 2 12 9 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 13 15 1 17 3 16 1 18 3 17 1 19 8 18 1 20 9 19 1 21 10 20 1 22 10 21 1 23 10 22 1 24 12 23 1 25 12 24 1 26 13 25 1 27 14 26 1 28 14 27 1 29 15 28 1 30 15 29 1 31 15 30 1 @SUBSTRUCTURE 1 noname 1