@MOLECULE DB00849 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -2.1605 -4.5949 1.1117 O.2 1 noname -0.2786 2 C1 -1.6419 -3.6385 0.4962 C.2 1 noname 0.0417 3 N1 -0.1487 -3.4480 0.4631 N.3 1 noname 0.0902 4 N2 -2.4782 -2.6427 -0.2332 N.3 1 noname 0.0858 5 C2 0.2684 -2.0213 0.6440 C.2 1 noname 0.0989 6 C3 0.7647 -4.5064 0.2801 C.3 1 noname 0.0035 7 C4 -1.9964 -1.2752 0.0870 C.2 1 noname 0.0952 8 O2 1.1432 -1.6643 1.4624 O.2 1 noname -0.2802 9 C5 -0.4888 -1.0226 -0.2824 C.3 1 noname 0.1427 10 O3 -2.7252 -0.4014 0.6046 O.2 1 noname -0.2816 11 C6 -0.2307 -1.1503 -1.7881 C.2 1 noname -0.0447 12 C7 0.0026 0.2662 0.4200 C.3 1 noname -0.0294 13 C8 -0.3072 -2.4573 -2.4181 C.2 1 noname -0.0506 14 C9 0.0200 0.0002 -2.6390 C.2 1 noname -0.0506 15 C10 -0.5912 1.4884 -0.2833 C.3 1 noname -0.0636 16 C11 -0.1362 -2.6268 -3.8151 C.2 1 noname -0.0589 17 C12 0.2097 -0.1455 -4.0443 C.2 1 noname -0.0589 18 C13 0.1269 -1.4601 -4.5979 C.2 1 noname -0.0612 19 H1 -3.2498 -2.8603 -0.8475 H 1 noname 0.1414 20 H2 1.0873 -4.8801 1.2519 H 1 noname 0.0404 21 H3 0.2828 -5.3101 -0.2766 H 1 noname 0.0404 22 H4 1.6303 -4.1471 -0.2766 H 1 noname 0.0404 23 H5 -0.4109 0.2565 1.4285 H 1 noname 0.0283 24 H6 1.0815 0.3169 0.2738 H 1 noname 0.0283 25 H7 -0.5008 -3.3467 -1.8185 H 1 noname 0.0626 26 H8 0.0672 1.0014 -2.2107 H 1 noname 0.0626 27 H9 -0.9386 2.2036 0.4623 H 1 noname 0.0231 28 H10 0.1716 1.9550 -0.9067 H 1 noname 0.0231 29 H11 -1.4295 1.1773 -0.9067 H 1 noname 0.0231 30 H12 -0.2044 -3.6153 -4.2694 H 1 noname 0.0622 31 H13 0.4114 0.7203 -4.6751 H 1 noname 0.0622 32 H14 0.2718 -1.5791 -5.6717 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 1 7 5 8 2 8 5 9 1 9 7 10 2 10 7 9 1 11 9 11 1 12 9 12 1 13 11 13 2 14 11 14 1 15 12 15 1 16 13 16 1 17 14 17 2 18 16 18 2 19 17 18 1 20 4 19 1 21 6 20 1 22 6 21 1 23 6 22 1 24 12 23 1 25 12 24 1 26 13 25 1 27 14 26 1 28 15 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 17 31 1 33 18 32 1 @SUBSTRUCTURE 1 noname 1