@MOLECULE DB03205 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.4149 -0.3095 -2.8838 O.2 1 noname -0.2610 2 C1 0.3521 0.4291 -1.8772 C.2 1 noname 0.1577 3 C2 -0.8248 0.4069 -0.9619 C.2 1 noname 0.0859 4 C3 1.5023 1.4214 -1.5153 C.2 1 noname 0.1425 5 N1 -1.8597 -0.4438 -1.2441 N.2 1 noname -0.1371 6 C4 -0.9119 1.2435 0.2104 C.2 1 noname 0.1097 7 O2 2.5283 1.5475 -2.2180 O.2 1 noname -0.2683 8 C5 1.2834 2.2037 -0.2720 C.2 1 noname 0.0309 9 C6 -2.9774 -0.5475 -0.4526 C.2 1 noname 0.0774 10 C7 -2.0285 1.1017 1.0706 C.2 1 noname 0.0584 11 C8 0.1308 2.1354 0.5009 C.2 1 noname -0.0011 12 C9 2.1357 3.0965 0.3588 C.2 1 noname 0.0328 13 C10 -4.0125 -1.3989 -0.8208 C.2 1 noname 0.1150 14 C11 -3.0763 0.2153 0.7429 C.2 1 noname 0.0976 15 C12 -2.0924 1.8410 2.2459 C.2 1 noname 0.0951 16 N2 0.2497 2.9770 1.5450 N.3 1 noname 0.0523 17 C13 1.4543 3.5627 1.4854 C.2 1 noname -0.0223 18 O3 -4.2331 -1.6283 -2.0296 O.2 1 noname -0.2482 19 O4 -4.7798 -1.9780 0.1271 O.3 1 noname -0.2109 20 O5 -3.0755 1.7194 3.0082 O.2 1 noname -0.2581 21 O6 -1.0926 2.6906 2.5641 O.3 1 noname -0.2181 22 C14 1.9468 4.4869 2.3994 C.2 1 noname 0.0885 23 O7 1.2475 4.8340 3.3756 O.2 1 noname -0.2533 24 O8 3.1803 5.0096 2.2328 O.3 1 noname -0.2143 25 H1 3.1384 3.3753 0.0348 H 1 noname 0.0653 26 H2 -3.9423 0.1219 1.3983 H 1 noname 0.0656 27 H3 -0.4491 3.1418 2.2554 H 1 noname 0.1530 28 H4 -4.4544 -1.7324 0.9963 H 1 noname 0.2217 29 H5 -1.0182 2.7538 3.5191 H 1 noname 0.2216 30 H6 3.5755 5.1770 3.0915 H 1 noname 0.2217 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 1 9 6 10 2 10 6 11 1 11 8 12 1 12 8 11 2 13 9 13 1 14 9 14 2 15 10 15 1 16 10 14 1 17 11 16 1 18 12 17 2 19 13 18 2 20 13 19 1 21 15 20 2 22 15 21 1 23 16 17 1 24 17 22 1 25 22 23 2 26 22 24 1 27 12 25 1 28 14 26 1 29 16 27 1 30 19 28 1 31 21 29 1 32 24 30 1 @SUBSTRUCTURE 1 noname 1