@<TRIPOS>MOLECULE
125300
39 41 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	0.0328
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	0.0161
10	C7     2.6572     0.0320     1.8151	C.2	1	noname	0.0743
11	N3     2.9709     1.1360     1.0603	N.2	1	noname	-0.2323
12	C8     1.9491     0.2255     3.0827	C.2	1	noname	0.0022
13	C9     2.6616     2.4005     1.4223	C.2	1	noname	0.0942
14	C10     1.4886    -0.6957     4.0772	C.2	1	noname	0.0837
15	C11     1.6641     1.5864     3.3846	C.2	1	noname	0.0446
16	N4     2.0067     2.6299     2.5865	N.2	1	noname	-0.2569
17	N5     3.0021     3.4268     0.6310	N.3	1	noname	-0.0777
18	N6     0.8283    -0.2617     5.2181	N.2	1	noname	-0.2166
19	N7     1.6902    -2.0239     3.9231	N.2	1	noname	-0.2379
20	C12     0.3875    -1.1286     6.1676	C.2	1	noname	0.0969
21	C13     1.2548    -2.9133     4.8663	C.2	1	noname	0.0691
22	N8     0.6083    -2.4622     5.9790	N.2	1	noname	-0.2272
23	N9    -0.2477    -0.6853     7.2610	N.3	1	noname	-0.0771
24	C14     1.4817    -4.3438     4.6822	C.3	1	noname	0.0696
25	H1     2.2221    -7.4179     0.3169	H	1	noname	0.0535
26	H2     2.4961    -6.2743    -1.0193	H	1	noname	0.0535
27	H3     3.3137    -7.8554    -1.0193	H	1	noname	0.0535
28	H4     2.8027    -5.4530     2.4388	H	1	noname	0.0667
29	H5     4.4559    -2.2410    -1.1158	H	1	noname	0.0857
30	H6     2.4474    -2.9844     2.6897	H	1	noname	0.0641
31	H7     3.5867    -0.5785     0.2089	H	1	noname	0.1358
32	H8     1.1401     1.8514     4.3029	H	1	noname	0.0849
33	H9     3.9606     3.5382     0.3327	H	1	noname	0.1273
34	H10     2.3002     4.0890     0.3327	H	1	noname	0.1273
35	H11     0.2692    -0.5182     8.1125	H	1	noname	0.1273
36	H12    -1.2434    -0.5182     7.2337	H	1	noname	0.1273
37	H13     1.5585    -4.8277     5.6559	H	1	noname	0.0312
38	H14     0.6491    -4.7752     4.1267	H	1	noname	0.0312
39	H15     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	13	17	1
18	14	18	2
19	14	19	1
20	15	16	1
21	18	20	1
22	19	21	2
23	20	22	2
24	20	23	1
25	21	24	1
26	21	22	1
27	3	25	1
28	3	26	1
29	3	27	1
30	5	28	1
31	6	29	1
32	7	30	1
33	9	31	1
34	15	32	1
35	17	33	1
36	17	34	1
37	23	35	1
38	23	36	1
39	24	37	1
40	24	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1