@<TRIPOS>MOLECULE
HT2LIG000240
30 32 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -3.7954 4.7442 -0.6043 C.3 1 UNK 0.0000
2 C2 -3.3940 3.5169 0.2210 C.3 1 UNK 0.0000
3 C3 -1.8957 3.1885 0.1005 C.3 1 UNK 0.0000
4 C4 -1.4314 2.0197 0.9904 C.3 1 UNK 0.0000
5 N5 -1.9955 0.7438 0.5914 N.pl3 1 UNK 0.0000
6 N6 -1.3831 -0.0662 -0.3047 N.2 1 UNK 0.0000
7 C7 -2.2010 -1.0906 -0.3872 C.ar 1 UNK 0.0000
8 C8 -2.0374 -2.2879 -1.2067 C.2 1 UNK 0.0000
9 O9 -1.0751 -2.4918 -1.9446 O.2 1 UNK 0.0000
10 C10 -3.1525 -3.2626 -1.0701 C.ar 1 UNK 0.0000
11 C11 -3.1270 -4.4704 -1.7952 C.ar 1 UNK 0.0000
12 N12 -4.1161 -5.3885 -1.7089 N.ar 1 UNK 0.0000
13 N13 -5.1728 -5.1745 -0.9172 N.ar 1 UNK 0.0000
14 C14 -5.2651 -4.0382 -0.1896 C.ar 1 UNK 0.0000
15 C15 -4.2748 -3.0368 -0.2239 C.ar 1 UNK 0.0000
16 C16 -4.4255 -1.8094 0.6026 C.2 1 UNK 0.0000
17 O17 -5.4017 -1.6228 1.3265 O.2 1 UNK 0.0000
18 C18 -3.3163 -0.8701 0.4662 C.ar 1 UNK 0.0000
19 N19 -3.1713 0.2815 1.0806 N.2 1 UNK 0.0000
20 H20 -4.8587 4.9571 -0.4867 H 1 UNK 0.0000
21 H21 -3.6037 4.5889 -1.6666 H 1 UNK 0.0000
22 H22 -3.2443 5.6307 -0.2888 H 1 UNK 0.0000
23 H23 -3.6483 3.6934 1.2670 H 1 UNK 0.0000
24 H24 -3.9920 2.6632 -0.0992 H 1 UNK 0.0000
25 H25 -1.3156 4.0738 0.3636 H 1 UNK 0.0000
26 H26 -1.6522 2.9660 -0.9394 H 1 UNK 0.0000
27 H27 -1.6895 2.2057 2.0335 H 1 UNK 0.0000
28 H28 -0.3442 1.9369 0.9510 H 1 UNK 0.0000
29 H29 -2.3099 -4.7195 -2.4563 H 1 UNK 0.0000
30 H30 -6.1487 -3.9438 0.4242 H 1 UNK 0.0000
@<TRIPOS>BOND
1 1 2 1
2 1 20 1
3 1 21 1
4 1 22 1
5 2 3 1
6 2 23 1
7 2 24 1
8 3 4 1
9 3 25 1
10 3 26 1
11 4 5 1
12 4 27 1
13 4 28 1
14 5 19 ar
15 5 6 ar
16 6 7 ar
17 7 18 ar
18 7 8 1
19 8 9 2
20 8 10 1
21 10 15 ar
22 10 11 ar
23 11 12 ar
24 11 29 1
25 12 13 ar
26 13 14 ar
27 14 15 ar
28 14 30 1
29 15 16 1
30 16 17 2
31 16 18 1
32 18 19 ar
@<TRIPOS>SUBSTRUCTURE
1 UNK 1 GROUP 0 **** 0 ROOT