@MOLECULE DB07511 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.0109 -1.4149 0.0646 O.2 1 noname -0.2691 2 C1 1.4254 -0.3298 -0.1409 C.2 1 noname 0.1156 3 N1 1.8203 0.7560 -1.0647 N.3 1 noname -0.0752 4 C2 0.1912 0.1581 0.4772 C.2 1 noname 0.0268 5 C3 3.0092 0.8663 -1.6730 C.2 1 noname -0.0037 6 C4 0.6865 1.7041 -1.2088 C.2 1 noname 0.1165 7 C5 -0.5922 -0.4532 1.4931 C.2 1 noname 0.0050 8 C6 -0.2100 1.3701 -0.1158 C.2 1 noname 0.0333 9 C7 3.2587 1.9382 -2.5220 C.2 1 noname -0.0098 10 C8 3.9929 -0.0913 -1.4551 C.2 1 noname -0.0098 11 O2 0.5370 2.5911 -2.0767 O.2 1 noname -0.2692 12 C9 -1.7357 0.2662 1.9587 C.2 1 noname -0.0303 13 C10 -0.2433 -1.7619 2.0383 C.3 1 noname 0.0097 14 C11 -1.3469 2.1079 0.3276 C.2 1 noname -0.0079 15 C12 4.4919 2.0526 -3.1530 C.2 1 noname -0.0064 16 C13 5.2261 0.0231 -2.0861 C.2 1 noname -0.0064 17 C14 -2.0805 1.5378 1.4078 C.2 1 noname -0.0249 18 C15 5.4756 1.0951 -2.9351 C.2 1 noname 0.0031 19 C16 6.6219 1.2014 -3.5216 C.1 1 noname 0.0601 20 N2 7.6404 1.2959 -4.0428 N.1 1 noname -0.1841 21 H1 2.4873 2.6891 -2.6929 H 1 noname 0.0640 22 H2 3.7973 -0.9319 -0.7893 H 1 noname 0.0640 23 H3 -2.3549 -0.1620 2.7470 H 1 noname 0.0625 24 H4 -0.2553 -1.7168 3.1273 H 1 noname 0.0280 25 H5 -0.9670 -2.5023 1.6973 H 1 noname 0.0280 26 H6 0.7529 -2.0437 1.6973 H 1 noname 0.0280 27 H7 -1.6381 3.0523 -0.1321 H 1 noname 0.0630 28 H8 4.6875 2.8932 -3.8188 H 1 noname 0.0636 29 H9 5.9975 -0.7278 -1.9152 H 1 noname 0.0636 30 H10 -2.9256 2.0874 1.8225 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 8 1 8 5 9 2 9 5 10 1 10 6 11 2 11 6 8 1 12 7 12 1 13 7 13 1 14 8 14 2 15 9 15 1 16 10 16 2 17 12 17 2 18 14 17 1 19 15 18 2 20 16 18 1 21 18 19 1 22 19 20 3 23 9 21 1 24 10 22 1 25 12 23 1 26 13 24 1 27 13 25 1 28 13 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 17 30 1 @SUBSTRUCTURE 1 noname 1