@<TRIPOS>MOLECULE
50394890
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.2774    -6.5452    -0.3072	N.2	1	noname	-0.2174
2	C1     0.8260    -7.2847    -0.1303	C.2	1	noname	0.0964
3	C2    -0.2555    -5.2333    -0.0351	C.2	1	noname	0.0827
4	N2     1.9513    -6.7122     0.3187	N.2	1	noname	-0.2276
5	N3     0.8040    -8.5966    -0.4024	N.3	1	noname	-0.0771
6	N4     0.8698    -4.6609     0.4139	N.2	1	noname	-0.2388
7	C3    -1.4000    -4.4662    -0.2186	C.2	1	noname	0.0098
8	C4     1.9732    -5.4003     0.5908	C.2	1	noname	0.0686
9	C5    -1.4202    -3.0730     0.0575	C.2	1	noname	0.0624
10	C6    -2.6218    -5.0367    -0.6958	C.2	1	noname	-0.0056
11	C7     3.1993    -4.7767     1.0800	C.3	1	noname	0.0696
12	N5    -2.5845    -2.3577    -0.1547	N.2	1	noname	-0.2487
13	N6    -0.3126    -2.4409     0.5515	N.3	1	noname	0.0138
14	C8    -3.8046    -4.2550    -0.8888	C.2	1	noname	-0.0422
15	C9    -3.7737    -2.8575    -0.6065	C.2	1	noname	0.0086
16	C10    -0.3446    -1.1110     0.7896	C.2	1	noname	0.0023
17	C11    -0.0645    -0.1792    -0.2574	C.2	1	noname	0.0044
18	C12    -0.8718    -0.6279     2.0270	C.2	1	noname	-0.0396
19	C13    -0.3524     1.1805    -0.0806	C.2	1	noname	-0.0590
20	C14     0.4214    -0.3201    -1.5518	C.2	1	noname	0.0271
21	C15    -1.1904     0.7509     2.1829	C.2	1	noname	-0.0466
22	N7    -0.0046     1.8141    -1.2106	N.3	1	noname	-0.0265
23	C16    -0.9472     1.6636     1.1176	C.2	1	noname	-0.0486
24	N8     0.4423     0.9306    -2.0582	N.2	1	noname	-0.3150
25	H1    -0.0788    -9.0764    -0.5049	H	1	noname	0.1273
26	H2     1.6703    -9.1056    -0.5049	H	1	noname	0.1273
27	H3    -2.6526    -6.1030    -0.9198	H	1	noname	0.0631
28	H4     3.1975    -4.7776     2.1700	H	1	noname	0.0312
29	H5     4.0614    -5.3367     0.7176	H	1	noname	0.0312
30	H6     3.2544    -3.7501     0.7176	H	1	noname	0.0312
31	H7     0.5333    -2.9589     0.7415	H	1	noname	0.1357
32	H8    -4.7222    -4.7207    -1.2483	H	1	noname	0.0639
33	H9    -4.6295    -2.1942    -0.7317	H	1	noname	0.0839
34	H10    -1.0320    -1.3157     2.8573	H	1	noname	0.0639
35	H11     0.7258    -1.2309    -2.0674	H	1	noname	0.0863
36	H12    -1.6208     1.1081     3.1184	H	1	noname	0.0623
37	H13    -0.0694     2.8050    -1.3951	H	1	noname	0.1754
38	H14    -1.2124     2.7161     1.2180	H	1	noname	0.0643
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	2
8	6	8	1
9	7	9	2
10	7	10	1
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	2
15	12	15	2
16	13	16	1
17	14	15	1
18	16	17	2
19	16	18	1
20	17	19	1
21	17	20	1
22	18	21	2
23	19	22	1
24	19	23	2
25	20	24	2
26	21	23	1
27	22	24	1
28	5	25	1
29	5	26	1
30	10	27	1
31	11	28	1
32	11	29	1
33	11	30	1
34	13	31	1
35	14	32	1
36	15	33	1
37	18	34	1
38	20	35	1
39	21	36	1
40	22	37	1
41	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1