@MOLECULE DB03653 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 1.3021 4.1370 0.2328 N.2 1 noname -0.2457 2 C1 1.9862 3.0088 0.6393 C.2 1 noname 0.0440 3 C2 1.0337 4.3880 -1.0958 C.2 1 noname 0.0526 4 N2 2.2173 2.8192 1.9456 N.3 1 noname -0.1141 5 C3 2.4537 2.0386 -0.2997 C.2 1 noname -0.0076 6 N3 1.4759 3.4642 -2.0211 N.2 1 noname -0.2691 7 C4 0.3089 5.5862 -1.5088 C.3 1 noname 0.0664 8 C5 2.1648 2.3191 -1.6676 C.2 1 noname 0.0153 9 C6 3.1785 0.8405 0.1136 C.3 1 noname 0.0277 10 N4 4.4022 1.2283 0.8133 N.3 1 noname -0.3021 11 C7 5.1280 0.0285 1.2272 C.3 1 noname -0.0046 12 C8 5.2435 2.0229 -0.0802 C.3 1 noname -0.0130 13 C9 4.2476 -0.8030 2.1622 C.3 1 noname -0.0524 14 H1 3.1657 2.7478 2.2854 H 1 noname 0.1258 15 H2 1.4431 2.7478 2.5902 H 1 noname 0.1258 16 H3 -0.0219 6.1331 -0.6259 H 1 noname 0.0312 17 H4 0.9652 6.2207 -2.1044 H 1 noname 0.0312 18 H5 -0.5577 5.2994 -2.1044 H 1 noname 0.0312 19 H6 2.4780 1.6418 -2.4622 H 1 noname 0.0844 20 H7 2.5489 0.3275 0.8406 H 1 noname 0.0482 21 H8 3.4858 0.3288 -0.7985 H 1 noname 0.0482 22 H9 5.2865 -0.5544 0.3199 H 1 noname 0.0427 23 H10 5.9826 0.3793 1.8058 H 1 noname 0.0427 24 H11 5.9092 2.6516 0.5112 H 1 noname 0.0394 25 H12 5.8354 1.3577 -0.7089 H 1 noname 0.0394 26 H13 4.6132 2.6518 -0.7089 H 1 noname 0.0394 27 H14 4.4951 -0.5693 3.1977 H 1 noname 0.0243 28 H15 3.1991 -0.5691 1.9775 H 1 noname 0.0243 29 H16 4.4213 -1.8631 1.9775 H 1 noname 0.0243 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 3 7 1 7 5 8 2 8 5 9 1 9 6 8 1 10 9 10 1 11 10 11 1 12 10 12 1 13 11 13 1 14 4 14 1 15 4 15 1 16 7 16 1 17 7 17 1 18 7 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 11 22 1 23 11 23 1 24 12 24 1 25 12 25 1 26 12 26 1 27 13 27 1 28 13 28 1 29 13 29 1 @SUBSTRUCTURE 1 noname 1