@MOLECULE 24656 19 20 1 SMALL USER_CHARGES @ATOM 1 N1 0.9842 -0.1017 -0.0877 N.2 1 noname -0.2296 2 C1 -0.2801 0.2804 0.1397 C.2 1 noname 0.0234 3 C2 1.7366 1.0065 -0.1798 C.2 1 noname -0.0498 4 C3 -1.3731 -0.5635 0.2983 C.2 1 noname -0.0289 5 C4 -0.3056 1.6683 0.1889 C.2 1 noname -0.0820 6 N2 0.9537 2.0842 -0.0118 N.3 1 noname -0.0609 7 C5 -1.4007 -1.7940 -0.3477 C.2 1 noname -0.0324 8 C6 -2.4386 -0.1769 1.1029 C.2 1 noname -0.0324 9 C7 -2.4938 -2.6378 -0.1891 C.2 1 noname -0.0526 10 C8 -3.5317 -1.0208 1.2615 C.2 1 noname -0.0526 11 C9 -3.5593 -2.2512 0.6155 C.2 1 noname -0.0503 12 H1 2.8111 1.0279 -0.3619 H 1 noname 0.1013 13 H2 -1.1646 2.3182 0.3561 H 1 noname 0.0812 14 H3 1.2606 3.0462 -0.0329 H 1 noname 0.1531 15 H4 -0.5652 -2.0971 -0.9786 H 1 noname 0.0629 16 H5 -2.4170 0.7880 1.6094 H 1 noname 0.0629 17 H6 -2.5154 -3.6027 -0.6956 H 1 noname 0.0622 18 H7 -4.3673 -0.7176 1.8924 H 1 noname 0.0622 19 H8 -4.4165 -2.9130 0.7399 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 3 2 3 2 4 1 4 2 5 2 5 3 6 1 6 4 7 2 7 4 8 1 8 5 6 1 9 7 9 1 10 8 10 2 11 9 11 2 12 10 11 1 13 3 12 1 14 5 13 1 15 6 14 1 16 7 15 1 17 8 16 1 18 9 17 1 19 10 18 1 20 11 19 1 @SUBSTRUCTURE 1 noname 1