@MOLECULE DB00794 30 31 1 SMALL USER_CHARGES @ATOM 1 O1 0.0707 -3.7048 0.2654 O.2 1 noname -0.2894 2 C1 -0.3252 -2.5568 0.5619 C.2 1 noname 0.0508 3 N1 0.5613 -1.4907 1.1134 N.3 1 noname -0.0646 4 C2 -1.8069 -2.0774 0.3959 C.3 1 noname 0.1416 5 C3 0.5412 -0.2812 0.2412 C.3 1 noname 0.0594 6 C4 -1.7370 -0.7892 -0.4821 C.2 1 noname 0.0508 7 C5 -2.6729 -1.9889 1.6244 C.2 1 noname -0.0448 8 C6 -2.5997 -3.0949 -0.4269 C.3 1 noname -0.0295 9 N2 -0.8457 0.2478 0.1021 N.3 1 noname -0.0646 10 O2 -2.3605 -0.6451 -1.5559 O.2 1 noname -0.2894 11 C7 -2.1946 -1.6839 2.9508 C.2 1 noname -0.0506 12 C8 -4.0580 -2.3427 1.4329 C.2 1 noname -0.0506 13 C9 -1.9613 -3.2411 -1.8097 C.3 1 noname -0.0636 14 C10 -3.0599 -1.7915 4.0863 C.2 1 noname -0.0589 15 C11 -4.9359 -2.4502 2.5588 C.2 1 noname -0.0589 16 C12 -4.4191 -2.1915 3.8599 C.2 1 noname -0.0612 17 H1 1.1019 -1.5762 1.9623 H 1 noname 0.1323 18 H2 1.1142 0.4859 0.7622 H 1 noname 0.0606 19 H3 0.8479 -0.6103 -0.7517 H 1 noname 0.0606 20 H4 -2.4908 -4.0573 0.0733 H 1 noname 0.0283 21 H5 -3.5916 -2.6702 -0.5815 H 1 noname 0.0283 22 H6 -1.1397 1.1772 0.3662 H 1 noname 0.1323 23 H7 -1.1621 -1.3668 3.0975 H 1 noname 0.0626 24 H8 -4.4438 -2.5299 0.4308 H 1 noname 0.0626 25 H9 -1.8509 -4.2988 -2.0489 H 1 noname 0.0231 26 H10 -2.5972 -2.7643 -2.5556 H 1 noname 0.0231 27 H11 -0.9811 -2.7643 -1.8096 H 1 noname 0.0231 28 H12 -2.6956 -1.5758 5.0907 H 1 noname 0.0622 29 H13 -5.9824 -2.7251 2.4273 H 1 noname 0.0622 30 H14 -5.0879 -2.3037 4.7132 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 6 10 2 10 6 9 1 11 7 11 2 12 7 12 1 13 8 13 1 14 11 14 1 15 12 15 2 16 14 16 2 17 15 16 1 18 3 17 1 19 5 18 1 20 5 19 1 21 8 20 1 22 8 21 1 23 9 22 1 24 11 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 13 27 1 29 14 28 1 30 15 29 1 31 16 30 1 @SUBSTRUCTURE 1 noname 1