@MOLECULE DB03118 28 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.8419 -3.9055 0.0652 Cl 1 noname -0.0833 2 C1 -0.0235 -2.4303 0.0633 C.2 1 noname -0.0041 3 C2 -0.7706 -1.2119 0.1079 C.2 1 noname -0.0007 4 C3 1.4084 -2.4193 0.0172 C.2 1 noname -0.0167 5 C4 -0.0108 0.0065 0.0823 C.2 1 noname -0.0067 6 C5 2.1591 -1.2021 0.0175 C.2 1 noname -0.0322 7 C6 1.4053 0.0075 0.0445 C.2 1 noname -0.0741 8 C7 -0.3910 1.3460 0.0939 C.2 1 noname 0.0021 9 N1 1.8630 1.2745 0.0449 N.3 1 noname -0.0387 10 C8 -1.7941 1.7836 0.0951 C.2 1 noname 0.0889 11 C9 0.7899 2.0975 0.0781 C.2 1 noname -0.0647 12 O1 -2.7136 1.0967 0.5903 O.2 1 noname -0.2945 13 C10 -2.0210 3.0336 -0.5035 C.2 1 noname 0.0884 14 C11 -3.2875 3.3942 -0.6641 C.2 1 noname 0.0683 15 O2 -4.2420 2.4906 -0.5424 O.3 1 noname -0.2679 16 C12 -3.6153 4.6794 -0.9517 C.2 1 noname 0.1481 17 N2 -4.8858 5.0928 -1.0658 N.2 1 noname -0.0952 18 N3 -2.7680 5.7264 -0.9731 N.2 1 noname -0.2166 19 N4 -4.7824 6.3878 -1.1000 N.2 1 noname -0.1735 20 N5 -3.5369 6.7645 -1.0395 N.3 1 noname 0.0602 21 H1 -1.8595 -1.2119 0.1585 H 1 noname 0.0645 22 H2 1.9441 -3.3678 -0.0194 H 1 noname 0.0638 23 H3 3.2489 -1.1967 -0.0017 H 1 noname 0.0643 24 H4 2.8328 1.5557 0.0241 H 1 noname 0.1522 25 H5 0.8643 3.1849 0.0901 H 1 noname 0.0797 26 H6 -1.2323 3.7085 -0.8359 H 1 noname 0.0692 27 H7 -4.4128 2.3289 0.3883 H 1 noname 0.2183 28 H8 -3.2146 7.7217 -1.0434 H 1 noname 0.2008 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 7 9 1 10 8 10 1 11 8 11 2 12 9 11 1 13 10 12 2 14 10 13 1 15 13 14 2 16 14 15 1 17 14 16 1 18 16 17 1 19 16 18 2 20 17 19 2 21 18 20 1 22 19 20 1 23 3 21 1 24 4 22 1 25 6 23 1 26 9 24 1 27 11 25 1 28 13 26 1 29 15 27 1 30 20 28 1 @SUBSTRUCTURE 1 noname 1