@<TRIPOS>MOLECULE
50394872
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.7287    -2.6911     0.3057	O.3	1	noname	-0.2489
2	C1     6.4131    -2.4708     0.5132	C.2	1	noname	0.0305
3	C2     8.2901    -1.5863    -0.3875	C.3	1	noname	0.0440
4	N1     5.4952    -2.8889    -0.4314	N.2	1	noname	-0.2283
5	C3     5.9922    -1.8125     1.6994	C.2	1	noname	0.0022
6	C4     4.1273    -2.7047    -0.3013	C.2	1	noname	0.0055
7	C5     4.5881    -1.6286     1.8231	C.2	1	noname	-0.0286
8	C6     3.6256    -2.0470     0.8707	C.2	1	noname	-0.0110
9	N2     2.2697    -1.8579     1.0120	N.3	1	noname	-0.0069
10	C7     1.2175    -1.3645     1.7823	C.2	1	noname	0.0351
11	C8     0.9720    -0.6799     3.0469	C.2	1	noname	0.0311
12	C9     0.0666    -1.6722     1.0104	C.2	1	noname	-0.0303
13	N3    -0.3372    -0.3899     3.3880	N.2	1	noname	-0.2240
14	C10     1.8524    -0.2249     4.0559	C.2	1	noname	0.0917
15	C11    -1.2515    -1.3497     1.4120	C.2	1	noname	-0.0173
16	C12    -1.4342    -0.6887     2.6417	C.2	1	noname	-0.0200
17	N4     1.3225     0.4018     5.1642	N.2	1	noname	-0.2079
18	N5     3.1980    -0.3836     3.9705	N.2	1	noname	-0.2293
19	C13     2.1190     0.8593     6.1644	C.2	1	noname	0.0992
20	C14     4.0151     0.0680     4.9629	C.2	1	noname	0.0714
21	N6     3.4643     0.6831     6.0458	N.2	1	noname	-0.2226
22	N7     1.5960     1.4672     7.2380	N.3	1	noname	-0.0769
23	C15     5.4616    -0.1051     4.8665	C.3	1	noname	0.0698
24	H1     8.6611    -0.8564     0.3320	H	1	noname	0.0535
25	H2     9.1136    -1.9305    -1.0133	H	1	noname	0.0535
26	H3     7.5267    -1.1241    -1.0133	H	1	noname	0.0535
27	H4     6.6957    -1.4731     2.4595	H	1	noname	0.0667
28	H5     3.4693    -3.0642    -1.0925	H	1	noname	0.0857
29	H6     4.2205    -1.1274     2.7186	H	1	noname	0.0641
30	H7     1.8671    -2.2614     0.1783	H	1	noname	0.1343
31	H8     0.2024    -2.1838     0.0575	H	1	noname	0.0640
32	H9    -2.1077    -1.6049     0.7876	H	1	noname	0.0639
33	H10    -2.4199    -0.4097     3.0141	H	1	noname	0.0839
34	H11     2.1853     1.6963     8.0257	H	1	noname	0.1273
35	H12     0.6126     1.6963     7.2596	H	1	noname	0.1273
36	H13     5.8890    -0.1563     5.8679	H	1	noname	0.0312
37	H14     5.6821    -1.0279     4.3298	H	1	noname	0.0312
38	H15     5.8937     0.7395     4.3298	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	7	8	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	2
16	13	16	2
17	14	17	2
18	14	18	1
19	15	16	1
20	17	19	1
21	18	20	2
22	19	21	2
23	19	22	1
24	20	23	1
25	20	21	1
26	3	24	1
27	3	25	1
28	3	26	1
29	5	27	1
30	6	28	1
31	7	29	1
32	9	30	1
33	12	31	1
34	15	32	1
35	16	33	1
36	22	34	1
37	22	35	1
38	23	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1