@MOLECULE DB02898 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.3230 -2.3473 0.5290 O.3 1 noname -0.2352 2 C1 -1.0798 -1.2397 0.7275 C.2 1 noname 0.0598 3 C2 0.6157 -2.1066 -0.5334 C.3 1 noname 0.0777 4 N1 -2.0912 -0.9224 -0.1439 N.2 1 noname -0.1688 5 C3 -0.8225 -0.3893 1.8181 C.2 1 noname 0.0523 6 C4 1.7608 -3.0909 -0.3104 C.3 1 noname 0.0769 7 C5 -2.8287 0.2227 -0.0399 C.2 1 noname 0.0421 8 N2 0.0585 -0.4139 2.8277 N.2 1 noname -0.2173 9 C6 -1.5886 0.7652 1.9103 C.2 1 noname -0.0228 10 N3 2.9929 -2.7894 -0.8634 N.2 1 noname -0.2278 11 C7 1.4773 -4.4712 -0.8743 C.3 1 noname -0.0207 12 N4 -3.7667 0.4999 -0.9038 N.2 1 noname -0.2387 13 N5 -2.5539 1.0672 0.9953 N.3 1 noname 0.0902 14 C8 -0.1701 0.7118 3.5337 C.2 1 noname -0.0470 15 N6 -1.1726 1.4355 2.9886 N.3 1 noname -0.0260 16 C9 3.6249 -3.8665 -1.1714 C.2 1 noname 0.0188 17 C10 2.8896 -5.0507 -0.8362 C.3 1 noname 0.0136 18 O2 4.8190 -3.8801 -1.7340 O.3 1 noname -0.2653 19 H1 0.1092 -2.3708 -1.4617 H 1 noname 0.0595 20 H2 0.9964 -1.0955 -0.3889 H 1 noname 0.0595 21 H3 1.9187 -3.0149 0.7655 H 1 noname 0.0576 22 H4 0.8514 -5.0171 -0.1684 H 1 noname 0.0294 23 H5 1.1647 -4.3684 -1.9135 H 1 noname 0.0294 24 H6 -4.6132 0.7500 -0.4130 H 1 noname 0.1893 25 H7 -3.0730 1.9289 1.0856 H 1 noname 0.0682 26 H8 0.3829 0.9990 4.4280 H 1 noname 0.1013 27 H9 -1.5420 2.3135 3.3245 H 1 noname 0.1537 28 H10 3.1463 -5.3311 0.1854 H 1 noname 0.0354 29 H11 3.0161 -5.7687 -1.6465 H 1 noname 0.0354 30 H12 5.4942 -3.8877 -1.0516 H 1 noname 0.2195 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 6 3 1 6 4 7 1 7 5 8 1 8 5 9 2 9 6 10 1 10 6 11 1 11 7 12 2 12 7 13 1 13 8 14 2 14 9 15 1 15 9 13 1 16 10 16 2 17 11 17 1 18 14 15 1 19 16 18 1 20 16 17 1 21 3 19 1 22 3 20 1 23 6 21 1 24 11 22 1 25 11 23 1 26 12 24 1 27 13 25 1 28 14 26 1 29 15 27 1 30 17 28 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1