@MOLECULE 120992 32 35 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.2836 -1.4671 -0.0116 Cl 1 noname -0.0654 2 C1 1.4329 -0.0105 0.0135 C.2 1 noname 0.0480 3 C2 2.1167 1.2271 -0.0441 C.2 1 noname 0.0477 4 C3 0.0233 0.0004 0.0925 C.2 1 noname 0.0162 5 C4 3.4063 1.2581 -0.1167 C.1 1 noname 0.0786 6 C5 1.3705 2.4335 -0.0212 C.2 1 noname 0.0422 7 C6 -0.7075 1.2463 0.1133 C.2 1 noname 0.0517 8 C7 -0.6803 -1.2074 0.1499 C.2 1 noname -0.0097 9 N1 4.5521 1.2856 -0.1813 N.1 1 noname -0.1802 10 N2 0.0102 2.4011 0.0549 N.2 1 noname -0.2361 11 C8 -2.1116 1.3486 0.1871 C.2 1 noname -0.0063 12 C9 -2.1169 -1.1809 0.2295 C.2 1 noname -0.0334 13 C10 -2.7776 0.1121 0.2432 C.2 1 noname -0.0265 14 C11 -2.8867 -2.4130 0.2967 C.2 1 noname -0.0206 15 C12 -4.3236 -2.3620 0.3793 C.2 1 noname 0.0104 16 C13 -2.2343 -3.7076 0.2831 C.2 1 noname -0.0268 17 C14 -5.0151 -3.5803 0.4417 C.2 1 noname 0.0437 18 C15 -2.9091 -4.9436 0.3449 C.2 1 noname 0.0021 19 N3 -6.3315 -3.7908 0.5216 N.2 1 noname -0.2007 20 C16 -4.3116 -4.7929 0.4232 C.2 1 noname 0.0268 21 C17 -6.4589 -5.1364 0.5536 C.2 1 noname 0.1318 22 O1 -5.2456 -5.7510 0.4948 O.3 1 noname -0.3547 23 N4 -7.6301 -5.7827 0.6332 N.3 1 noname -0.0643 24 H1 1.8543 3.4093 -0.0632 H 1 noname 0.0854 25 H2 -0.1238 -2.1445 0.1331 H 1 noname 0.0636 26 H3 -2.6379 2.3031 0.1998 H 1 noname 0.0645 27 H4 -3.8651 0.1584 0.3005 H 1 noname 0.0629 28 H5 -4.8756 -1.4223 0.3942 H 1 noname 0.0652 29 H6 -1.1471 -3.7556 0.2212 H 1 noname 0.0630 30 H7 -2.4027 -5.9088 0.3334 H 1 noname 0.0651 31 H8 -8.4940 -5.2604 0.6632 H 1 noname 0.1278 32 H9 -7.6488 -6.7920 0.6632 H 1 noname 0.1278 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 3 9 6 10 2 10 7 11 2 11 7 10 1 12 8 12 1 13 11 13 1 14 12 14 1 15 12 13 2 16 14 15 2 17 14 16 1 18 15 17 1 19 16 18 2 20 17 19 1 21 17 20 2 22 18 20 1 23 19 21 2 24 20 22 1 25 21 23 1 26 21 22 1 27 6 24 1 28 8 25 1 29 11 26 1 30 13 27 1 31 15 28 1 32 16 29 1 33 18 30 1 34 23 31 1 35 23 32 1 @SUBSTRUCTURE 1 noname 1