@MOLECULE DB04565 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.2723 -1.7339 -0.6497 O.2 1 noname -0.2598 2 C1 -0.0862 -1.4286 -0.3806 C.2 1 noname 0.0837 3 O2 0.8133 -2.4245 -0.5836 O.3 1 noname -0.2191 4 C2 0.2993 -0.1157 0.0044 C.2 1 noname 0.0015 5 C3 1.6509 0.1386 0.3585 C.2 1 noname 0.0247 6 C4 -0.6375 0.9506 -0.1065 C.2 1 noname 0.0002 7 C5 2.1159 1.4807 0.3587 C.2 1 noname 0.0189 8 C6 -0.2337 2.2882 0.0468 C.2 1 noname -0.0120 9 N1 3.4778 1.6640 0.2191 N.3 1 noname -0.1263 10 C7 1.1537 2.5571 0.2508 C.2 1 noname 0.0245 11 C8 4.4401 0.9454 -0.4817 C.2 1 noname 0.1431 12 N2 1.5329 3.8730 0.2533 N.3 1 noname -0.1316 13 O3 5.6254 1.2867 -0.2908 O.2 1 noname -0.2666 14 C9 4.2973 -0.2208 -1.3912 C.3 1 noname 0.1170 15 C10 0.9946 5.0481 -0.2433 C.2 1 noname 0.1281 16 O4 3.0420 -0.4093 -2.0623 O.3 1 noname -0.3870 17 O5 1.5575 6.1080 0.1087 O.2 1 noname -0.2772 18 C11 -0.1831 5.2106 -1.1192 C.3 1 noname 0.0098 19 H1 1.1161 -2.7598 0.2634 H 1 noname 0.2216 20 H2 2.3186 -0.6807 0.6250 H 1 noname 0.0648 21 H3 -1.6864 0.7384 -0.3132 H 1 noname 0.0631 22 H4 -0.9714 3.0898 0.0088 H 1 noname 0.0640 23 H5 3.8333 2.4666 0.7185 H 1 noname 0.1372 24 H6 2.4122 4.0078 0.7317 H 1 noname 0.1371 25 H7 5.0085 -0.0506 -2.1995 H 1 noname 0.0661 26 H8 4.3945 -1.1012 -0.7560 H 1 noname 0.0661 27 H9 2.3439 -0.5142 -1.4117 H 1 noname 0.2107 28 H10 -1.0767 5.3339 -0.5073 H 1 noname 0.0324 29 H11 -0.0494 6.0905 -1.7484 H 1 noname 0.0324 30 H12 -0.2927 4.3273 -1.7484 H 1 noname 0.0324 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 2 8 7 9 1 9 7 10 2 10 8 10 1 11 9 11 1 12 10 12 1 13 11 13 2 14 11 14 1 15 12 15 1 16 14 16 1 17 15 17 2 18 15 18 1 19 3 19 1 20 5 20 1 21 6 21 1 22 8 22 1 23 9 23 1 24 12 24 1 25 14 25 1 26 14 26 1 27 16 27 1 28 18 28 1 29 18 29 1 30 18 30 1 @SUBSTRUCTURE 1 noname 1