@<TRIPOS>MOLECULE
56972222
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9503     0.6515    -1.1452	O.2	1	noname	-0.2852
2	O2     9.1505    -0.8398     2.2448	O.3	1	noname	-0.3578
3	N1    -0.1957     0.7874     2.0785	N.3	1	noname	-0.3016
4	N2     3.0016     0.1542     1.0084	N.3	1	noname	-0.0653
5	N3     6.5012    -0.0427    -0.1718	N.2	1	noname	-0.2025
6	C1     1.4404     2.1108     0.5725	C.3	1	noname	-0.0218
7	C2     1.6964     0.5399     0.4732	C.3	1	noname	0.0300
8	C3     1.6027     2.6047     2.0705	C.3	1	noname	-0.0360
9	C4    -0.0288     2.4049     0.0806	C.3	1	noname	-0.0360
10	C5     0.6902    -0.2241     1.4039	C.3	1	noname	0.0144
11	C6     0.6310     1.7232     2.9456	C.3	1	noname	-0.0014
12	C7    -0.9732     1.5431     1.0096	C.3	1	noname	-0.0014
13	C8     4.0992     0.3002     0.0452	C.2	1	noname	0.0414
14	C9     5.4109    -0.0232     0.6658	C.2	1	noname	0.0535
15	C10     5.6097    -0.2940     2.0609	C.2	1	noname	0.0383
16	C11     6.9509    -0.5583     2.4642	C.2	1	noname	0.0433
17	C12     8.0093    -0.5569     1.5591	C.2	1	noname	0.0704
18	C13     7.8136    -0.2938     0.1718	C.2	1	noname	0.0643
19	C14     7.4653    -0.8505     3.7357	C.2	1	noname	0.0176
20	C15     8.8435    -1.0197     3.5571	C.2	1	noname	0.0416
21	H1     2.1528     2.6380    -0.0594	H	1	noname	0.0320
22	H2     1.5390     0.1616    -0.5492	H	1	noname	0.0485
23	H3     1.3072     3.6514     2.1421	H	1	noname	0.0283
24	H4     2.6190     2.4700     2.4409	H	1	noname	0.0283
25	H5    -0.2526     3.4630     0.2167	H	1	noname	0.0283
26	H6    -0.1862     2.1167    -0.9587	H	1	noname	0.0283
27	H7     0.0798    -0.8983     0.8031	H	1	noname	0.0447
28	H8     1.2807    -0.8410     2.0812	H	1	noname	0.0447
29	H9    -0.0336     2.3720     3.5160	H	1	noname	0.0430
30	H10     1.2257     1.1001     3.6136	H	1	noname	0.0430
31	H11    -1.7067     2.1937     1.4857	H	1	noname	0.0430
32	H12    -1.4735     0.7944     0.3954	H	1	noname	0.0430
33	H13     3.1298    -0.1676     1.9145	H	1	noname	0.1317
34	H14     4.8359    -0.2972     2.7254	H	1	noname	0.0654
35	H15     8.5756    -0.2914    -0.5062	H	1	noname	0.0868
36	H16     6.9437    -0.9245     4.6091	H	1	noname	0.0651
37	H17     9.5117    -1.2426     4.2948	H	1	noname	0.0901
@<TRIPOS>BOND
1	1	13	2
2	2	17	1
3	2	20	1
4	3	10	1
5	3	11	1
6	3	12	1
7	7	4	1
8	4	13	1
9	4	33	1
10	5	14	2
11	5	18	1
12	6	7	1
13	6	8	1
14	6	9	1
15	6	21	1
16	7	10	1
17	7	22	1
18	8	11	1
19	8	23	1
20	8	24	1
21	9	12	1
22	9	25	1
23	9	26	1
24	10	27	1
25	10	28	1
26	11	29	1
27	11	30	1
28	12	31	1
29	12	32	1
30	13	14	1
31	14	15	1
32	15	16	2
33	15	34	1
34	16	17	1
35	16	19	1
36	17	18	2
37	18	35	1
38	19	20	2
39	19	36	1
40	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1