@<TRIPOS>MOLECULE
82100164
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6873    -1.0207     0.6434	O.2	1	noname	-0.2923
2	N1     1.2145    -3.0121    -0.1850	N.3	1	noname	-0.3076
3	C1     0.0301    -2.4249     0.4742	C.3	1	noname	0.0680
4	C2    -0.7474    -1.3125    -0.1279	C.2	1	noname	0.0981
5	C3    -0.5885    -0.5905    -1.3563	C.2	1	noname	-0.0297
6	C4    -0.9243    -3.5430     0.8985	C.3	1	noname	-0.0423
7	C5     0.6324    -0.1624    -3.5069	C.2	1	noname	-0.0509
8	C6     0.4542    -0.8630    -2.2847	C.2	1	noname	-0.0247
9	C7     1.7577    -4.0812     0.6513	C.3	1	noname	-0.0070
10	C8    -0.2766     0.8774    -3.8397	C.2	1	noname	-0.0424
11	C9    -1.4834     0.4537    -1.7131	C.2	1	noname	-0.0280
12	C10    -1.3344     1.1729    -2.9249	C.2	1	noname	-0.0552
13	C11     1.7883    -0.5879    -4.3605	C.3	1	noname	-0.0012
14	C12     2.9844    -4.6895    -0.0314	C.3	1	noname	-0.0527
15	C13    -0.2292     1.7027    -5.0745	C.3	1	noname	0.0004
16	H1     0.3539    -2.0436     1.4426	H	1	noname	0.0547
17	H2     1.9244    -2.2889    -0.3171	H	1	noname	0.1229
18	H3    -1.7982    -3.1096     1.3849	H	1	noname	0.0251
19	H4    -1.2391    -4.1050     0.0192	H	1	noname	0.0251
20	H5    -0.4153    -4.2108     1.5935	H	1	noname	0.0251
21	H6     1.1091    -1.5971    -2.0664	H	1	noname	0.0633
22	H7     1.0005    -4.8526     0.7922	H	1	noname	0.0425
23	H8     2.0459    -3.6737     1.6203	H	1	noname	0.0425
24	H9    -2.2588     0.7141    -1.1049	H	1	noname	0.0630
25	H10    -2.0322     1.9165    -3.1026	H	1	noname	0.0625
26	H11     1.4199    -0.9242    -5.3297	H	1	noname	0.0280
27	H12     2.3205    -1.4036    -3.8711	H	1	noname	0.0280
28	H13     2.4653     0.2547    -4.5016	H	1	noname	0.0280
29	H14     3.3894    -5.4866     0.5921	H	1	noname	0.0243
30	H15     2.6962    -5.0970    -1.0004	H	1	noname	0.0243
31	H16     3.7416    -3.9181    -0.1724	H	1	noname	0.0243
32	H17    -0.3247     1.0567    -5.9472	H	1	noname	0.0280
33	H18    -1.0487     2.4213    -5.0629	H	1	noname	0.0280
34	H19     0.7206     2.2356    -5.1191	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	4	2
2	2	3	1
3	2	9	1
4	2	17	1
5	3	4	1
6	3	6	1
7	3	16	1
8	4	5	1
9	5	8	2
10	5	11	1
11	6	18	1
12	6	19	1
13	6	20	1
14	7	8	1
15	7	10	2
16	7	13	1
17	8	21	1
18	9	14	1
19	9	22	1
20	9	23	1
21	10	12	1
22	10	15	1
23	11	12	2
24	11	24	1
25	12	25	1
26	13	26	1
27	13	27	1
28	13	28	1
29	14	29	1
30	14	30	1
31	14	31	1
32	15	32	1
33	15	33	1
34	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1