@MOLECULE DB03353 33 34 1 SMALL USER_CHARGES @ATOM 1 S1 0.4151 2.2988 1.2724 S.3 1 noname -0.1551 2 C1 -0.6031 1.6018 -0.0764 C.3 1 noname 0.0222 3 C2 1.7003 1.0100 1.5332 C.3 1 noname 0.0111 4 C3 -0.2329 0.0812 0.1315 C.3 1 noname 0.0421 5 C4 -0.2036 2.2448 -1.4217 C.3 1 noname -0.0397 6 C5 1.2433 -0.1207 0.5726 C.3 1 noname 0.0396 7 N1 -0.3258 -0.8470 -1.0208 N.3 1 noname -0.1196 8 C6 -1.0610 1.6550 -2.5434 C.3 1 noname -0.0517 9 N2 1.9360 -0.1699 -0.7070 N.3 1 noname -0.1198 10 C7 1.0595 -1.0563 -1.4979 C.2 1 noname -0.1388 11 C8 -0.6651 2.2924 -3.8768 C.3 1 noname -0.0439 12 N3 1.4279 -1.8545 -2.4213 N.2 1 noname -0.2725 13 C9 -1.5225 1.7026 -4.9984 C.3 1 noname 0.0335 14 C10 -1.1447 2.3108 -6.2708 C.2 1 noname 0.1348 15 O1 -1.7255 1.9691 -7.3237 O.2 1 noname -0.2559 16 O2 -0.1682 3.2421 -6.3102 O.3 1 noname -0.2189 17 H1 -1.6801 1.7105 -0.2038 H 1 noname 0.0433 18 H2 2.6646 1.3475 1.1533 H 1 noname 0.0397 19 H3 1.6261 0.5917 2.5370 H 1 noname 0.0397 20 H4 -1.0092 -0.2179 0.8358 H 1 noname 0.0497 21 H5 -0.4598 3.3023 -1.3566 H 1 noname 0.0278 22 H6 0.8244 1.9445 -1.6243 H 1 noname 0.0278 23 H7 1.4763 -1.0368 1.1152 H 1 noname 0.0494 24 H8 -1.1659 -1.2556 -1.4046 H 1 noname 0.1310 25 H9 -0.8055 0.5976 -2.6119 H 1 noname 0.0267 26 H10 -2.0897 1.9554 -2.3442 H 1 noname 0.0267 27 H11 2.7953 0.2886 -0.9745 H 1 noname 0.1310 28 H12 -0.9206 3.3498 -3.8083 H 1 noname 0.0272 29 H13 0.3636 1.9920 -4.0760 H 1 noname 0.0272 30 H14 1.3043 -2.8078 -2.1114 H 1 noname 0.1898 31 H15 -1.2701 0.6457 -5.0847 H 1 noname 0.0372 32 H16 -2.5543 2.0035 -4.8170 H 1 noname 0.0372 33 H17 0.0824 3.4811 -5.4149 H 1 noname 0.2213 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 4 7 1 7 4 6 1 8 5 8 1 9 6 9 1 10 7 10 1 11 8 11 1 12 9 10 1 13 10 12 2 14 11 13 1 15 13 14 1 16 14 15 2 17 14 16 1 18 2 17 1 19 3 18 1 20 3 19 1 21 4 20 1 22 5 21 1 23 5 22 1 24 6 23 1 25 7 24 1 26 8 25 1 27 8 26 1 28 9 27 1 29 11 28 1 30 11 29 1 31 12 30 1 32 13 31 1 33 13 32 1 34 16 33 1 @SUBSTRUCTURE 1 noname 1