@MOLECULE DB03735 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 3.2273 -1.9725 0.7944 O.3 1 noname -0.3512 2 C1 2.7421 -2.9665 -0.0919 C.3 1 noname 0.1330 3 C2 4.4341 -1.5817 0.1859 C.3 1 noname 0.1090 4 N1 1.4456 -3.4135 0.3129 N.3 1 noname 0.0153 5 C3 2.8928 -2.3550 -1.4867 C.3 1 noname 0.0195 6 C4 4.1948 -1.5755 -1.3254 C.3 1 noname 0.0867 7 C5 4.8057 -0.1717 0.6493 C.3 1 noname 0.0721 8 C6 1.1637 -3.9360 1.5276 C.2 1 noname 0.1106 9 C7 0.2684 -3.3753 -0.3820 C.2 1 noname -0.0364 10 O2 5.2477 -2.2732 -1.9743 O.3 1 noname -0.3900 11 O3 4.9627 -0.1632 2.0605 O.3 1 noname -0.3934 12 N2 1.9566 -4.2111 2.6077 N.2 1 noname -0.2212 13 C8 -0.2216 -4.1554 1.5308 C.2 1 noname 0.0500 14 N3 -0.7568 -3.8269 0.3604 N.2 1 noname -0.2162 15 C9 1.3754 -4.6995 3.7534 C.2 1 noname 0.0504 16 C10 -0.8116 -4.6495 2.7101 C.2 1 noname 0.0532 17 N4 0.0152 -4.8939 3.7678 N.2 1 noname -0.2524 18 C11 -2.2489 -4.8905 2.7976 C.3 1 noname 0.0470 19 H1 3.2805 -3.9105 -0.0075 H 1 noname 0.0824 20 H2 5.1903 -2.3033 0.4952 H 1 noname 0.0655 21 H3 3.0583 -3.1601 -2.2027 H 1 noname 0.0338 22 H4 2.0815 -1.6442 -1.6436 H 1 noname 0.0338 23 H5 4.2013 -0.5901 -1.7913 H 1 noname 0.0630 24 H6 5.7895 0.0680 0.2458 H 1 noname 0.0591 25 H7 3.9590 0.4843 0.4469 H 1 noname 0.0591 26 H8 0.1598 -3.0255 -1.4086 H 1 noname 0.1016 27 H9 5.8297 -2.6589 -1.3154 H 1 noname 0.2105 28 H10 4.9986 -1.0664 2.3839 H 1 noname 0.2101 29 H11 1.9799 -4.9275 4.6313 H 1 noname 0.1062 30 H12 -2.5458 -4.9403 3.8452 H 1 noname 0.0296 31 H13 -2.7841 -4.0778 2.3064 H 1 noname 0.0296 32 H14 -2.4898 -5.8333 2.3064 H 1 noname 0.0296 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 1 8 4 9 1 9 5 6 1 10 6 10 1 11 7 11 1 12 8 12 2 13 8 13 1 14 9 14 2 15 12 15 1 16 13 16 2 17 13 14 1 18 15 17 2 19 16 18 1 20 16 17 1 21 2 19 1 22 3 20 1 23 5 21 1 24 5 22 1 25 6 23 1 26 7 24 1 27 7 25 1 28 9 26 1 29 10 27 1 30 11 28 1 31 15 29 1 32 18 30 1 33 18 31 1 34 18 32 1 @SUBSTRUCTURE 1 noname 1