@<TRIPOS>MOLECULE
72941924
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     6.2188    -0.4091     0.2461	N.3	1	noname	-0.3090
2	N2     0.9594    -2.9715    -2.3750	N.3	1	noname	-0.0858
3	N3    -2.9790    -3.5162     2.8689	N.1	1	noname	-0.1840
4	C1     4.0298    -1.4780     0.0577	C.3	1	noname	-0.0210
5	C2     2.5706    -1.3922     0.5096	C.3	1	noname	0.0264
6	C3     3.5169    -2.3993     1.1663	C.3	1	noname	-0.0413
7	C4     4.8244    -0.3270     0.6779	C.3	1	noname	0.0010
8	C5     1.7205    -2.0816    -0.4566	C.2	1	noname	-0.0271
9	C6     0.4850    -2.6645    -0.2222	C.2	1	noname	-0.0201
10	C7     1.9802    -2.2930    -1.8118	C.2	1	noname	-0.1241
11	C8     0.0246    -3.2012    -1.4420	C.2	1	noname	-0.0809
12	C9     6.9780     0.6908     0.8388	C.3	1	noname	-0.0136
13	C10     6.7889    -1.6838     0.6790	C.3	1	noname	-0.0136
14	C11    -0.2956    -2.7172     0.9650	C.2	1	noname	0.0021
15	C12    -1.2642    -3.7938    -1.5635	C.2	1	noname	-0.0312
16	C13    -1.5854    -3.3395     0.8738	C.2	1	noname	0.0011
17	C14    -2.0681    -3.8599    -0.3753	C.2	1	noname	-0.0088
18	C15    -2.3233    -3.4331     1.9302	C.1	1	noname	0.0606
19	H1     4.1435    -1.8290    -0.9680	H	1	noname	0.0322
20	H2     2.2156    -0.7122     1.2840	H	1	noname	0.0356
21	H3     3.3317    -3.3923     0.7568	H	1	noname	0.0276
22	H4     3.8446    -2.1822     2.1829	H	1	noname	0.0276
23	H5     4.3994     0.6233     0.3551	H	1	noname	0.0433
24	H6     4.7760    -0.3963     1.7647	H	1	noname	0.0433
25	H7     2.8176    -1.9807    -2.3032	H	1	noname	0.0792
26	H8     0.9099    -3.2481    -3.3034	H	1	noname	0.1522
27	H9     8.0176     0.6296     0.5168	H	1	noname	0.0394
28	H10     6.5530     1.6411     0.5159	H	1	noname	0.0394
29	H11     7.8284    -1.7450     0.3570	H	1	noname	0.0394
30	H12     6.2228    -2.5038     0.2371	H	1	noname	0.0394
31	H13     6.7404    -1.7530     1.7658	H	1	noname	0.0394
32	H14     6.9296     0.6215     1.9255	H	1	noname	0.0394
33	H15     0.0467    -2.3292     1.8441	H	1	noname	0.0643
34	H16    -1.6018    -4.1555    -2.4555	H	1	noname	0.0643
35	H17    -2.9954    -4.2825    -0.4189	H	1	noname	0.0637
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	1	13	1
4	2	10	1
5	2	11	1
6	2	26	1
7	3	18	3
8	4	5	1
9	4	6	1
10	4	7	1
11	4	19	1
12	5	6	1
13	5	8	1
14	5	20	1
15	6	21	1
16	6	22	1
17	7	23	1
18	7	24	1
19	8	9	1
20	8	10	2
21	9	11	2
22	9	14	1
23	10	25	1
24	11	15	1
25	12	27	1
26	12	28	1
27	12	32	1
28	13	29	1
29	13	30	1
30	13	31	1
31	14	16	2
32	14	33	1
33	15	17	2
34	15	34	1
35	16	17	1
36	16	18	1
37	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1