@<TRIPOS>MOLECULE
76958826
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.7867    -1.8830     1.1754	N.3	1	noname	-0.3271
2	C1    -1.3923    -1.5519     0.8862	C.3	1	noname	0.0115
3	C2    -1.2784    -1.0327    -0.5485	C.3	1	noname	0.0148
4	C3    -0.9121    -0.4728     1.8588	C.3	1	noname	-0.0197
5	C4     0.1140    -0.7022    -0.8373	C.2	1	noname	-0.0568
6	C5     0.9623    -1.6679    -1.3664	C.2	1	noname	-0.0633
7	C6     0.5915     0.5783    -0.5830	C.2	1	noname	-0.0633
8	C7    -1.0185    -0.9581     3.1997	C.2	1	noname	-0.0946
9	C8     2.2880    -1.3531    -1.6414	C.2	1	noname	-0.0629
10	C9     1.9172     0.8930    -0.8580	C.2	1	noname	-0.0629
11	C10     2.7654    -0.0727    -1.3872	C.2	1	noname	-0.0681
12	C11    -0.6542    -0.1839     4.2179	C.2	1	noname	-0.0985
13	H1    -0.7761    -2.4438     0.9999	H	1	noname	0.0469
14	H2    -1.8947    -0.1409    -0.6621	H	1	noname	0.0332
15	H3    -1.6206    -1.8015    -1.2413	H	1	noname	0.0332
16	H4    -1.5283     0.4190     1.7451	H	1	noname	0.0325
17	H5     0.1275    -0.2260     1.6431	H	1	noname	0.0325
18	H6    -3.3645    -1.0467     1.0689	H	1	noname	0.1187
19	H7    -3.1075    -2.6038     0.5258	H	1	noname	0.1187
20	H8     0.6119    -2.6075    -1.5530	H	1	noname	0.0625
21	H9    -0.0309     1.2869    -0.1947	H	1	noname	0.0625
22	H10    -1.3634    -1.8703     3.3701	H	1	noname	0.0570
23	H11     2.9104    -2.0618    -2.0297	H	1	noname	0.0622
24	H12     2.2676     1.8326    -0.6714	H	1	noname	0.0622
25	H13     3.7382     0.1582    -1.5889	H	1	noname	0.0622
26	H14    -0.3094     0.7283     4.0476	H	1	noname	0.0534
27	H15    -0.7279    -0.5199     5.1463	H	1	noname	0.0534
@<TRIPOS>BOND
1	2	1	1
2	1	18	1
3	1	19	1
4	2	3	1
5	2	4	1
6	2	13	1
7	3	5	1
8	3	14	1
9	3	15	1
10	4	8	1
11	4	16	1
12	4	17	1
13	5	6	2
14	5	7	1
15	6	9	1
16	6	20	1
17	7	10	2
18	7	21	1
19	8	12	2
20	8	22	1
21	9	11	2
22	9	23	1
23	10	11	1
24	10	24	1
25	11	25	1
26	12	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1