@<TRIPOS>MOLECULE
125417
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.7203    -4.5801     0.0000	O.2	1	noname	-0.2940
2	C1     4.5205    -4.2295     0.0000	C.2	1	noname	0.0403
3	N1     3.4959    -5.1575    -0.0000	N.3	1	noname	0.0050
4	C2     4.1413    -2.8392     0.0000	C.2	1	noname	0.0391
5	C3     2.1348    -4.8873    -0.0000	C.2	1	noname	-0.0847
6	C4     2.7347    -2.4858    -0.0000	C.2	1	noname	-0.0493
7	C5     1.7594    -3.5147    -0.0000	C.2	1	noname	-0.0385
8	N2     2.3427    -1.1485    -0.0000	N.3	1	noname	0.0020
9	C6     1.2948    -0.2153    -0.0000	C.2	1	noname	0.0623
10	N3     1.9820     0.9734    -0.0000	N.2	1	noname	-0.2492
11	C7    -0.1717    -0.1534     0.0000	C.2	1	noname	0.0094
12	C8     1.4111     2.2171     0.0000	C.2	1	noname	0.0085
13	C9    -1.1738    -1.1834     0.0000	C.2	1	noname	0.0827
14	C10    -0.7414     1.1585     0.0000	C.2	1	noname	-0.0056
15	C11     0.0069     2.3447     0.0000	C.2	1	noname	-0.0426
16	N4    -2.5303    -0.8981    -0.0000	N.2	1	noname	-0.2174
17	N5    -0.8177    -2.4853     0.0000	N.2	1	noname	-0.2388
18	C12    -3.4779    -1.8739    -0.0000	C.2	1	noname	0.0964
19	C13    -1.7437    -3.4823     0.0000	C.2	1	noname	0.0686
20	N6    -3.0746    -3.1663     0.0000	N.2	1	noname	-0.2276
21	N7    -4.7813    -1.5630    -0.0000	N.3	1	noname	-0.0771
22	C14    -1.3197    -4.8794     0.0000	C.3	1	noname	0.0696
23	H1     3.7689    -6.1299    -0.0000	H	1	noname	0.1368
24	H2     4.9084    -2.0649     0.0000	H	1	noname	0.0691
25	H3     1.4083    -5.6998    -0.0000	H	1	noname	0.0754
26	H4     0.7031    -3.2459    -0.0000	H	1	noname	0.0649
27	H5     3.2026    -0.6188     0.0000	H	1	noname	0.1357
28	H6     2.0633     3.0904     0.0000	H	1	noname	0.0839
29	H7    -1.8265     1.2619     0.0000	H	1	noname	0.0631
30	H8    -0.4801     3.3199    -0.0000	H	1	noname	0.0639
31	H9    -5.0696    -0.5951    -0.0000	H	1	noname	0.1273
32	H10    -5.4755    -2.2967    -0.0000	H	1	noname	0.1273
33	H11    -1.2142    -5.2271     1.0277	H	1	noname	0.0312
34	H12    -2.0659    -5.4855    -0.5138	H	1	noname	0.0312
35	H13    -0.3626    -4.9686    -0.5138	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	8	1
8	6	7	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	1
14	11	14	2
15	12	15	2
16	13	16	2
17	13	17	1
18	14	15	1
19	16	18	1
20	17	19	2
21	18	20	2
22	18	21	1
23	19	22	1
24	19	20	1
25	3	23	1
26	4	24	1
27	5	25	1
28	7	26	1
29	8	27	1
30	12	28	1
31	14	29	1
32	15	30	1
33	21	31	1
34	21	32	1
35	22	33	1
36	22	34	1
37	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1