@MOLECULE DB02320 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.5277 0.3658 0.3411 O.3 1 noname -0.3451 2 C1 1.4285 -0.5673 -0.3382 C.3 1 noname 0.1794 3 C2 0.0731 1.5854 -0.3297 C.3 1 noname 0.1119 4 N1 0.7084 -1.6414 -0.8055 N.2 1 noname -0.2088 5 C3 2.2878 0.0237 -1.4940 C.3 1 noname 0.1291 6 C4 0.1303 1.5785 -1.8857 C.3 1 noname 0.1111 7 C5 -1.3485 1.9189 0.1269 C.3 1 noname 0.0722 8 C6 0.9850 -2.8187 -0.4015 C.2 1 noname 0.0265 9 O2 3.3870 0.7384 -0.9488 O.3 1 noname -0.3854 10 C7 1.4624 0.9680 -2.4229 C.3 1 noname 0.1129 11 O3 -0.0115 2.9056 -2.3705 O.3 1 noname -0.3874 12 O4 -1.3593 2.1198 1.5326 O.3 1 noname -0.3934 13 O5 1.9627 -3.0063 0.4653 O.3 1 noname -0.2646 14 C8 0.2361 -3.9358 -0.8875 C.3 1 noname -0.0001 15 O6 1.2198 0.3190 -3.6623 O.3 1 noname -0.3873 16 H1 2.0704 -0.9465 0.4570 H 1 noname 0.0894 17 H2 0.8106 2.3090 0.0176 H 1 noname 0.0657 18 H3 2.7302 -0.7837 -2.0776 H 1 noname 0.0677 19 H4 -0.7234 1.0333 -2.2882 H 1 noname 0.0657 20 H5 -1.6256 2.8800 -0.3063 H 1 noname 0.0591 21 H6 -1.9732 1.0426 -0.0464 H 1 noname 0.0591 22 H7 3.3434 0.7100 0.0098 H 1 noname 0.2107 23 H8 2.1125 1.8206 -2.6194 H 1 noname 0.0657 24 H9 -0.0762 3.5119 -1.6290 H 1 noname 0.2106 25 H10 -1.3627 1.2691 1.9774 H 1 noname 0.2101 26 H11 1.6161 -2.9398 1.3580 H 1 noname 0.2195 27 H12 -0.1486 -4.5097 -0.0444 H 1 noname 0.0317 28 H13 -0.5962 -3.5790 -1.4942 H 1 noname 0.0317 29 H14 0.8823 -4.5702 -1.4942 H 1 noname 0.0317 30 H15 1.2446 -0.6323 -3.5357 H 1 noname 0.2106 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 2 8 5 9 1 9 5 10 1 10 6 11 1 11 6 10 1 12 7 12 1 13 8 13 1 14 8 14 1 15 10 15 1 16 2 16 1 17 3 17 1 18 5 18 1 19 6 19 1 20 7 20 1 21 7 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 14 29 1 30 15 30 1 @SUBSTRUCTURE 1 noname 1