@MOLECULE DB07356 41 42 1 SMALL USER_CHARGES @ATOM 1 O1 -0.1443 2.7399 -2.3766 O.2 1 noname -0.2880 2 C1 0.4731 1.6676 -2.1991 C.2 1 noname 0.0560 3 N1 0.1548 0.8044 -1.0208 N.3 1 noname -0.0512 4 C2 1.5703 1.2280 -3.1985 C.3 1 noname 0.0820 5 C3 -1.2518 0.5421 -0.7135 C.3 1 noname 0.0786 6 C4 1.0797 -0.1955 -0.4813 C.3 1 noname 0.0308 7 N2 2.8306 1.1036 -2.4638 N.3 1 noname -0.3201 8 C5 1.7708 2.2736 -4.3182 C.3 1 noname -0.0176 9 C6 -1.7195 1.3973 0.4880 C.1 1 noname -0.0978 10 C7 -1.2607 -0.9434 -0.3546 C.3 1 noname -0.0242 11 C8 0.1971 -1.3762 -0.0777 C.3 1 noname -0.0333 12 C9 1.8576 0.3805 0.7199 C.3 1 noname 0.0086 13 C10 2.8996 1.9067 -5.2868 C.3 1 noname -0.0485 14 C11 0.6041 2.4691 -5.2957 C.3 1 noname -0.0485 15 C12 -2.0804 2.0573 1.4152 C.1 1 noname -0.1075 16 N3 2.7724 -0.6343 1.2400 N.3 1 noname -0.3289 17 C13 2.7819 2.9946 -6.3597 C.3 1 noname -0.0529 18 C14 1.2640 3.2466 -6.4549 C.3 1 noname -0.0529 19 H1 1.3123 0.2627 -3.6343 H 1 noname 0.0562 20 H2 -1.8841 0.7922 -1.5654 H 1 noname 0.0611 21 H3 1.8116 -0.4765 -1.2386 H 1 noname 0.0485 22 H4 3.1795 0.1903 -2.2104 H 1 noname 0.1191 23 H5 3.3512 1.9312 -2.2104 H 1 noname 0.1191 24 H6 1.9453 3.1638 -3.7138 H 1 noname 0.0323 25 H7 -1.8105 -1.0401 0.5816 H 1 noname 0.0293 26 H8 -1.5954 -1.4818 -1.2412 H 1 noname 0.0293 27 H9 0.4306 -2.2000 -0.7522 H 1 noname 0.0284 28 H10 0.3038 -1.5065 0.9992 H 1 noname 0.0284 29 H11 2.4887 1.1882 0.3493 H 1 noname 0.0441 30 H12 1.1404 0.5718 1.5181 H 1 noname 0.0441 31 H13 3.8497 2.0392 -4.7692 H 1 noname 0.0270 32 H14 2.6576 0.9478 -5.7450 H 1 noname 0.0270 33 H15 0.3049 1.4890 -5.6672 H 1 noname 0.0270 34 H16 -0.1306 3.1197 -4.8214 H 1 noname 0.0270 35 H17 -2.3963 1.4017 2.2268 H 1 noname 0.1238 36 H18 2.4388 -1.5705 1.4196 H 1 noname 0.1184 37 H19 3.7381 -0.3992 1.4196 H 1 noname 0.1184 38 H20 3.2518 3.8991 -5.9734 H 1 noname 0.0267 39 H21 3.1146 2.5694 -7.3066 H 1 noname 0.0267 40 H22 0.9189 2.7966 -7.3857 H 1 noname 0.0267 41 H23 1.0998 4.3080 -6.2690 H 1 noname 0.0267 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 1 12 8 13 1 13 8 14 1 14 9 15 3 15 10 11 1 16 12 16 1 17 13 17 1 18 14 18 1 19 17 18 1 20 4 19 1 21 5 20 1 22 6 21 1 23 7 22 1 24 7 23 1 25 8 24 1 26 10 25 1 27 10 26 1 28 11 27 1 29 11 28 1 30 12 29 1 31 12 30 1 32 13 31 1 33 13 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 18 40 1 42 18 41 1 @SUBSTRUCTURE 1 noname 1