@MOLECULE DB04059 33 35 1 SMALL USER_CHARGES @ATOM 1 N1 4.2244 -1.6742 -0.7239 N.2 1 noname -0.2267 2 C1 3.2405 -0.7788 -0.3838 C.2 1 noname 0.0875 3 C2 5.3112 -1.3086 -1.4720 C.2 1 noname 0.0109 4 N2 3.3518 0.5095 -0.8521 N.2 1 noname -0.2267 5 N3 2.1978 -1.1346 0.4195 N.3 1 noname 0.0330 6 C3 5.4556 0.0307 -1.9318 C.2 1 noname -0.0235 7 C4 4.4152 0.9316 -1.6001 C.2 1 noname 0.0109 8 C5 1.1914 -0.2449 0.6145 C.2 1 noname -0.0158 9 C6 0.1935 0.0014 -0.3785 C.2 1 noname -0.0299 10 C7 1.3039 0.6053 1.7453 C.2 1 noname -0.0504 11 C8 -0.6824 1.1519 -0.2163 C.2 1 noname -0.0398 12 C9 0.0550 -0.8051 -1.5614 C.2 1 noname -0.0195 13 C10 0.4890 1.7417 1.8786 C.2 1 noname -0.0570 14 C11 -1.6993 1.4618 -1.1698 C.2 1 noname -0.0379 15 C12 -0.4870 2.0314 0.8940 C.2 1 noname -0.0657 16 C13 -0.9481 -0.4757 -2.5165 C.2 1 noname -0.0195 17 C14 -1.8170 0.6279 -2.3176 C.2 1 noname -0.0317 18 C15 -1.0755 -1.2323 -3.6394 C.2 1 noname -0.0759 19 N4 -1.9700 -0.9472 -4.5021 N.2 1 noname -0.2745 20 N5 -0.2791 -2.2539 -3.8347 N.3 1 noname -0.1373 21 H1 6.0526 -2.0747 -1.6988 H 1 noname 0.0841 22 H2 2.1714 -2.0418 0.8625 H 1 noname 0.1373 23 H3 6.3219 0.3513 -2.5106 H 1 noname 0.0655 24 H4 4.4333 1.9712 -1.9273 H 1 noname 0.0841 25 H5 2.0303 0.3811 2.5265 H 1 noname 0.0639 26 H6 0.7069 -1.6616 -1.7331 H 1 noname 0.0637 27 H7 0.6133 2.3955 2.7418 H 1 noname 0.0623 28 H8 -2.3670 2.3112 -1.0255 H 1 noname 0.0629 29 H9 -1.0899 2.9344 0.9912 H 1 noname 0.0629 30 H10 -2.5879 0.8385 -3.0589 H 1 noname 0.0630 31 H11 -2.8201 -0.6764 -4.0287 H 1 noname 0.1888 32 H12 -0.6620 -3.1855 -3.9099 H 1 noname 0.1257 33 H13 0.7177 -2.1101 -3.9099 H 1 noname 0.1257 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 2 6 4 7 2 7 5 8 1 8 6 7 1 9 8 9 1 10 8 10 2 11 9 11 1 12 9 12 2 13 10 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 15 2 18 14 17 1 19 16 18 1 20 16 17 2 21 18 19 2 22 18 20 1 23 3 21 1 24 5 22 1 25 6 23 1 26 7 24 1 27 10 25 1 28 12 26 1 29 13 27 1 30 14 28 1 31 15 29 1 32 17 30 1 33 19 31 1 34 20 32 1 35 20 33 1 @SUBSTRUCTURE 1 noname 1