@MOLECULE DB03512 33 35 1 SMALL USER_CHARGES @ATOM 1 V1 -1.0800 -0.4852 1.1198 V 1 noname 0.3985 2 O1 -2.2885 0.6888 -0.0342 O.2 1 noname -0.2789 3 O2 0.2287 -1.6992 2.2806 O.3 1 noname -0.1979 4 O3 0.0895 1.2153 1.7074 O.3 1 noname -0.1988 5 O4 -2.7278 -1.1381 2.3193 O.3 1 noname -0.2143 6 O5 -0.3423 -1.5120 -0.6229 O.3 1 noname -0.2143 7 C1 1.3895 -0.9158 2.0562 C.3 1 noname 0.1134 8 C2 1.1329 0.5588 2.4194 C.3 1 noname 0.1027 9 C3 2.6025 -1.1848 2.9819 C.3 1 noname 0.1494 10 C4 2.5673 1.1233 2.4659 C.3 1 noname 0.1099 11 O6 3.3886 0.0372 2.9610 O.3 1 noname -0.3510 12 N1 2.2499 -1.5828 4.3258 N.3 1 noname 0.0360 13 C5 3.0730 1.6328 1.0950 C.3 1 noname 0.0721 14 C6 2.5800 -2.8503 4.7209 C.2 1 noname 0.0299 15 C7 1.5473 -0.7327 5.1925 C.2 1 noname -0.0416 16 O7 4.3952 2.1317 1.2339 O.3 1 noname -0.3934 17 O8 3.2287 -3.6175 3.9772 O.2 1 noname -0.2797 18 N2 2.1657 -3.2441 5.9751 N.3 1 noname 0.0788 19 C8 1.0702 -1.0895 6.4705 C.2 1 noname 0.0382 20 C9 1.4336 -2.4099 6.8023 C.2 1 noname 0.0604 21 O9 1.0724 -2.8557 7.9129 O.2 1 noname -0.2902 22 H1 -2.5026 -1.0489 3.2482 H 1 noname 0.1898 23 H2 -0.4010 -2.4602 -0.4844 H 1 noname 0.1898 24 H3 1.5301 -1.2064 1.0151 H 1 noname 0.0654 25 H4 0.5643 0.7815 3.3223 H 1 noname 0.0641 26 H5 3.2095 -2.0357 2.6727 H 1 noname 0.0815 27 H6 2.6469 1.9688 3.1493 H 1 noname 0.0656 28 H7 3.1576 0.7782 0.4237 H 1 noname 0.0591 29 H8 2.4698 2.4940 0.8076 H 1 noname 0.0591 30 H9 1.3574 0.2833 4.8463 H 1 noname 0.0759 31 H10 4.6103 2.2129 2.1659 H 1 noname 0.2101 32 H11 2.4055 -4.1708 6.2972 H 1 noname 0.1417 33 H12 0.4943 -0.4293 7.1189 H 1 noname 0.0685 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 1 6 1 6 7 3 1 7 8 4 1 8 7 9 1 9 7 8 1 10 8 10 1 11 9 11 1 12 9 12 1 13 10 13 1 14 10 11 1 15 12 14 1 16 12 15 1 17 13 16 1 18 14 17 2 19 14 18 1 20 15 19 2 21 18 20 1 22 19 20 1 23 20 21 2 24 5 22 1 25 6 23 1 26 7 24 1 27 8 25 1 28 9 26 1 29 10 27 1 30 13 28 1 31 13 29 1 32 15 30 1 33 16 31 1 34 18 32 1 35 19 33 1 @SUBSTRUCTURE 1 noname 1