@MOLECULE DB01595 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 4.2706 0.8684 -0.4953 O.2 1 noname -0.1448 2 N1 3.5937 1.7056 -0.0501 N.2 1 noname -0.0156 3 O2 4.1178 2.7227 0.4893 O.3 1 noname -0.1448 4 C1 2.2948 1.5941 -0.1079 C.2 1 noname 0.0397 5 C2 1.6991 0.2954 -0.0926 C.2 1 noname 0.0558 6 C3 1.4901 2.7732 -0.1856 C.2 1 noname 0.0390 7 C4 0.2823 0.1963 -0.1190 C.2 1 noname 0.0205 8 C5 0.0743 2.6940 -0.2255 C.2 1 noname -0.0019 9 C6 -0.3277 -1.0651 -0.0919 C.2 1 noname 0.0071 10 C7 -0.5212 1.3952 -0.1668 C.2 1 noname 0.0327 11 N2 -1.4280 -1.3775 0.5017 N.2 1 noname -0.2528 12 C8 0.3077 -2.0635 -0.7620 C.2 1 noname -0.0300 13 N3 -1.8741 1.3354 -0.1973 N.3 1 noname -0.1269 14 C9 -2.2073 -0.5907 1.3786 C.3 1 noname 0.1136 15 C10 -0.2355 -3.3429 -0.7814 C.2 1 noname -0.0352 16 C11 1.5002 -1.8046 -1.4276 C.2 1 noname -0.0352 17 C12 -2.6936 0.7672 0.8377 C.2 1 noname 0.1407 18 C13 0.4139 -4.3633 -1.4663 C.2 1 noname -0.0534 19 C14 2.1496 -2.8250 -2.1125 C.2 1 noname -0.0534 20 O3 -3.7229 1.3322 1.2665 O.2 1 noname -0.2682 21 C15 1.6065 -4.1044 -2.1318 C.2 1 noname -0.0529 22 H1 2.3145 -0.6037 -0.0614 H 1 noname 0.0654 23 H2 1.9662 3.7533 -0.2150 H 1 noname 0.0647 24 H3 -0.5327 3.5965 -0.2985 H 1 noname 0.0640 25 H4 -2.2900 1.7318 -1.0279 H 1 noname 0.1371 26 H5 -3.0939 -1.2020 1.5472 H 1 noname 0.0612 27 H6 -1.5261 -0.3795 2.2028 H 1 noname 0.0612 28 H7 -1.1706 -3.5459 -0.2595 H 1 noname 0.0629 29 H8 1.9261 -0.8014 -1.4124 H 1 noname 0.0629 30 H9 -0.0120 -5.3665 -1.4814 H 1 noname 0.0622 31 H10 3.0847 -2.6220 -2.6344 H 1 noname 0.0622 32 H11 2.1157 -4.9046 -2.6689 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 5 7 1 7 6 8 2 8 7 9 1 9 7 10 2 10 8 10 1 11 9 11 2 12 9 12 1 13 10 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 17 1 19 15 18 1 20 16 19 2 21 17 20 2 22 18 21 2 23 19 21 1 24 5 22 1 25 6 23 1 26 8 24 1 27 13 25 1 28 14 26 1 29 14 27 1 30 15 28 1 31 16 29 1 32 18 30 1 33 19 31 1 34 21 32 1 @SUBSTRUCTURE 1 noname 1