@MOLECULE DB02052 32 35 1 SMALL USER_CHARGES @ATOM 1 O1 2.7538 2.6391 0.5269 O.2 1 noname -0.2735 2 C1 2.8956 2.0400 -0.5610 C.2 1 noname 0.1075 3 N1 3.9351 1.1524 -0.9366 N.3 1 noname -0.1327 4 C2 2.0359 2.0945 -1.7240 C.2 1 noname 0.0587 5 C3 3.8122 0.8195 -2.2252 C.2 1 noname 0.0028 6 C4 0.7520 2.5319 -1.6263 C.2 1 noname -0.0040 7 C5 2.6837 1.4690 -2.7731 C.2 1 noname -0.0109 8 C6 4.6554 -0.0279 -2.9979 C.2 1 noname -0.0293 9 N2 0.2017 3.0435 -0.5128 N.3 1 noname -0.0130 10 C7 -0.2267 2.3908 -2.6905 C.2 1 noname 0.0388 11 C8 2.3710 1.3467 -4.1651 C.2 1 noname -0.0282 12 C9 4.3286 -0.1641 -4.3814 C.2 1 noname -0.0426 13 C10 -1.0893 3.2810 -0.7381 C.2 1 noname -0.0015 14 N3 -0.0748 1.9691 -3.8841 N.2 1 noname -0.1973 15 C11 -1.4123 2.8569 -2.0282 C.2 1 noname -0.0288 16 C12 3.2143 0.5193 -4.9599 C.2 1 noname -0.0550 17 C13 -2.0719 3.8299 0.1207 C.2 1 noname -0.0509 18 O2 -1.0656 1.9217 -4.6692 O.3 1 noname -0.2071 19 C14 -2.7265 2.8730 -2.5536 C.2 1 noname -0.0312 20 C15 -3.4022 3.9087 -0.3971 C.2 1 noname -0.0492 21 C16 -3.7243 3.4293 -1.7006 C.2 1 noname -0.0753 22 H1 4.6788 0.7975 -0.3526 H 1 noname 0.1374 23 H2 5.5060 -0.5449 -2.5537 H 1 noname 0.0639 24 H3 0.6830 3.2215 0.3570 H 1 noname 0.1343 25 H4 1.5196 1.8661 -4.6050 H 1 noname 0.0629 26 H5 4.9448 -0.8056 -5.0115 H 1 noname 0.0623 27 H6 3.0045 0.4079 -6.0237 H 1 noname 0.0622 28 H7 -1.8184 4.1724 1.1240 H 1 noname 0.0639 29 H8 -1.8773 1.8828 -4.1580 H 1 noname 0.2481 30 H9 -2.9543 2.4840 -3.5461 H 1 noname 0.0630 31 H10 -4.1901 4.3449 0.2169 H 1 noname 0.0623 32 H11 -4.7544 3.4894 -2.0521 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 2 6 4 7 1 7 5 8 1 8 5 7 2 9 6 9 1 10 6 10 1 11 7 11 1 12 8 12 2 13 9 13 1 14 10 14 2 15 10 15 1 16 11 16 2 17 12 16 1 18 13 17 1 19 13 15 2 20 14 18 1 21 15 19 1 22 17 20 2 23 19 21 2 24 20 21 1 25 3 22 1 26 8 23 1 27 9 24 1 28 11 25 1 29 12 26 1 30 16 27 1 31 17 28 1 32 18 29 1 33 19 30 1 34 20 31 1 35 21 32 1 @SUBSTRUCTURE 1 noname 1