@MOLECULE HT2LIG000765 27 29 1 SMALL USER_CHARGES @ATOM 1 N1 0.0022 -2.3056 -0.4085 N.pl3 1 UNK 0.0000 2 C2 0.4643 -1.0064 -0.1544 C.ar 1 UNK 0.0000 3 C3 -0.1959 0.1933 0.0071 C.ar 1 UNK 0.0000 4 N4 0.7259 1.2207 0.1973 N.2 1 UNK 0.0000 5 C5 1.9310 0.6619 0.1817 C.ar 1 UNK 0.0000 6 C6 3.2347 1.2039 0.3330 C.ar 1 UNK 0.0000 7 C7 4.3341 0.3772 0.2779 C.ar 1 UNK 0.0000 8 C8 4.1723 -1.0134 0.0684 C.ar 1 UNK 0.0000 9 C9 2.9130 -1.5487 -0.0859 C.ar 1 UNK 0.0000 10 N10 1.8212 -0.7327 -0.0301 N.pl3 1 UNK 0.0000 11 C11 -1.6351 0.4977 0.0091 C.ar 1 UNK 0.0000 12 C12 -2.0971 1.7757 -0.3808 C.ar 1 UNK 0.0000 13 C13 -3.4747 2.0743 -0.3762 C.ar 1 UNK 0.0000 14 C14 -4.4056 1.0958 0.0195 C.ar 1 UNK 0.0000 15 Cl15 -6.0916 1.4586 0.0274 Cl 1 UNK 0.0000 16 C16 -3.9571 -0.1790 0.4120 C.ar 1 UNK 0.0000 17 C17 -2.5791 -0.4747 0.4081 C.ar 1 UNK 0.0000 18 H18 -0.9753 -2.4883 -0.5948 H 1 UNK 0.0000 19 H19 0.5873 -3.1176 -0.5438 H 1 UNK 0.0000 20 H20 3.3352 2.2707 0.4942 H 1 UNK 0.0000 21 H21 5.3285 0.7985 0.3971 H 1 UNK 0.0000 22 H22 5.0429 -1.6629 0.0291 H 1 UNK 0.0000 23 H23 2.7169 -2.6003 -0.2477 H 1 UNK 0.0000 24 H24 -1.3874 2.5332 -0.6823 H 1 UNK 0.0000 25 H25 -3.8170 3.0544 -0.6735 H 1 UNK 0.0000 26 H26 -4.6711 -0.9275 0.7217 H 1 UNK 0.0000 27 H27 -2.2444 -1.4488 0.7308 H 1 UNK 0.0000 @BOND 1 1 2 1 2 1 18 1 3 1 19 1 4 2 10 ar 5 2 3 ar 6 3 4 ar 7 3 11 1 8 4 5 ar 9 5 10 ar 10 5 6 ar 11 6 7 ar 12 6 20 1 13 7 8 ar 14 7 21 1 15 8 9 ar 16 8 22 1 17 9 10 ar 18 9 23 1 19 11 17 ar 20 11 12 ar 21 12 13 ar 22 12 24 1 23 13 14 ar 24 13 25 1 25 14 15 1 26 14 16 ar 27 16 17 ar 28 16 26 1 29 17 27 1 @SUBSTRUCTURE 1 UNK 1 GROUP 0 **** 0 ROOT