@<TRIPOS>MOLECULE
76955821
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.4781    -0.6594    -0.7792	N.3	1	noname	-0.3120
2	C1     1.1376    -0.1378    -0.5176	C.3	1	noname	0.0042
3	C2     0.1832    -1.3007    -0.2388	C.3	1	noname	-0.0380
4	C3    -1.2196    -0.7549     0.0350	C.3	1	noname	-0.0516
5	C4    -2.1739    -1.9178     0.3137	C.3	1	noname	-0.0509
6	C5    -3.5768    -1.3720     0.5875	C.3	1	noname	-0.0471
7	C6     2.9469    -1.4056     0.3873	C.3	1	noname	0.0014
8	C7     0.6470     0.6432    -1.7383	C.3	1	noname	-0.0497
9	C8    -4.5311    -2.5349     0.8662	C.3	1	noname	-0.0628
10	C9    -4.0674    -0.5910    -0.6333	C.3	1	noname	-0.0628
11	C10     4.3497    -1.9515     0.1136	C.3	1	noname	-0.0500
12	C11     2.9890    -0.4778     1.6032	C.3	1	noname	-0.0500
13	H1     1.1676     0.5232     0.3486	H	1	noname	0.0461
14	H2     0.1533    -1.9617    -1.1050	H	1	noname	0.0282
15	H3     0.5328    -1.8571     0.6309	H	1	noname	0.0282
16	H4    -1.5691    -0.1985    -0.8347	H	1	noname	0.0267
17	H5    -1.1896    -0.0939     0.9011	H	1	noname	0.0267
18	H6    -2.2039    -2.5788    -0.5525	H	1	noname	0.0269
19	H7    -1.8244    -2.4742     1.1834	H	1	noname	0.0269
20	H8    -3.5468    -0.7110     1.4537	H	1	noname	0.0297
21	H9     2.4500    -1.2792    -1.5913	H	1	noname	0.1227
22	H10     2.2670    -2.2342     0.5859	H	1	noname	0.0459
23	H11    -0.3524     1.0321    -1.5433	H	1	noname	0.0246
24	H12     0.6170    -0.0178    -2.6045	H	1	noname	0.0246
25	H13     1.3269     1.4717    -1.9369	H	1	noname	0.0246
26	H14    -5.5305    -2.1461     1.0612	H	1	noname	0.0233
27	H15    -4.5611    -3.1959     0.0000	H	1	noname	0.0233
28	H16    -4.1816    -3.0913     1.7359	H	1	noname	0.0233
29	H17    -5.0668    -0.2021    -0.4383	H	1	noname	0.0233
30	H18    -4.0974    -1.2520    -1.4995	H	1	noname	0.0233
31	H19    -3.3875     0.2375    -0.8319	H	1	noname	0.0233
32	H20     4.6992    -2.5079     0.9833	H	1	noname	0.0246
33	H21     4.3197    -2.6125    -0.7526	H	1	noname	0.0246
34	H22     5.0296    -1.1230    -0.0850	H	1	noname	0.0246
35	H23     3.3385    -1.0342     2.4729	H	1	noname	0.0246
36	H24     1.9895    -0.0889     1.7982	H	1	noname	0.0246
37	H25     3.6688     0.3507     1.4046	H	1	noname	0.0246
@<TRIPOS>BOND
1	2	1	1
2	1	7	1
3	1	21	1
4	2	3	1
5	2	8	1
6	2	13	1
7	3	4	1
8	3	14	1
9	3	15	1
10	4	5	1
11	4	16	1
12	4	17	1
13	5	6	1
14	5	18	1
15	5	19	1
16	6	9	1
17	6	10	1
18	6	20	1
19	7	11	1
20	7	12	1
21	7	22	1
22	8	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	9	27	1
27	9	28	1
28	10	29	1
29	10	30	1
30	10	31	1
31	11	32	1
32	11	33	1
33	11	34	1
34	12	35	1
35	12	36	1
36	12	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1