@<TRIPOS>MOLECULE
50394871
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0504    -6.4725     0.3154	O.3	1	noname	-0.2487
2	C1     3.8262    -5.1560     0.5129	C.2	1	noname	0.0327
3	C2     2.9571    -7.0379    -0.3927	C.3	1	noname	0.0440
4	N1     4.2635    -4.2558    -0.4356	N.2	1	noname	-0.2277
5	C3     3.1508    -4.7462     1.6855	C.2	1	noname	0.0028
6	C4     4.0801    -2.8859    -0.3215	C.2	1	noname	0.0078
7	C5     2.9643    -3.3434     1.7998	C.2	1	noname	-0.0264
8	C6     3.3982    -2.3714     0.8459	C.2	1	noname	-0.0101
9	N2     3.1792    -1.0094     1.0264	N.3	1	noname	0.0156
10	C7     2.6572     0.0320     1.8151	C.2	1	noname	0.0796
11	N3     2.9709     1.1360     1.0603	N.2	1	noname	-0.2131
12	C8     1.9491     0.2255     3.0827	C.2	1	noname	0.0438
13	C9     2.6616     2.4005     1.4223	C.2	1	noname	0.0663
14	C10     1.4886    -0.6957     4.0772	C.2	1	noname	0.0841
15	C11     1.6641     1.5864     3.3846	C.2	1	noname	0.0495
16	N4     2.0067     2.6299     2.5865	N.2	1	noname	-0.2390
17	N5     0.8283    -0.2617     5.2181	N.2	1	noname	-0.2135
18	N6     1.6902    -2.0239     3.9231	N.2	1	noname	-0.2350
19	C12     0.3875    -1.1286     6.1676	C.2	1	noname	0.0973
20	C13     1.2548    -2.9133     4.8663	C.2	1	noname	0.0695
21	N7     0.6083    -2.4622     5.9790	N.2	1	noname	-0.2241
22	N8    -0.2477    -0.6853     7.2610	N.3	1	noname	-0.0771
23	C14     1.4817    -4.3438     4.6822	C.3	1	noname	0.0696
24	H1     2.2221    -7.4179     0.3169	H	1	noname	0.0535
25	H2     2.4961    -6.2743    -1.0193	H	1	noname	0.0535
26	H3     3.3137    -7.8554    -1.0193	H	1	noname	0.0535
27	H4     2.8027    -5.4530     2.4388	H	1	noname	0.0667
28	H5     4.4559    -2.2410    -1.1158	H	1	noname	0.0857
29	H6     2.4474    -2.9844     2.6897	H	1	noname	0.0641
30	H7     3.5867    -0.5785     0.2089	H	1	noname	0.1358
31	H8     2.9397     3.2335     0.7768	H	1	noname	0.1061
32	H9     1.1401     1.8514     4.3029	H	1	noname	0.0848
33	H10     0.2692    -0.5182     8.1125	H	1	noname	0.1273
34	H11    -1.2434    -0.5182     7.2337	H	1	noname	0.1273
35	H12     1.5585    -4.8277     5.6559	H	1	noname	0.0312
36	H13     0.6491    -4.7752     4.1267	H	1	noname	0.0312
37	H14     2.4071    -4.4963     4.1267	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	12	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	13	31	1
34	15	32	1
35	22	33	1
36	22	34	1
37	23	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1