@<TRIPOS>MOLECULE
50394886
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.9931    -6.7201     0.3296	N.2	1	noname	-0.2520
2	C1     0.8851    -7.3826    -0.1326	C.2	1	noname	0.0386
3	C2     2.0686    -5.3848     0.6219	C.2	1	noname	0.0544
4	N2     0.9423    -8.6979    -0.3822	N.3	1	noname	-0.1161
5	C3    -0.3011    -6.6808    -0.3415	C.2	1	noname	-0.0090
6	N3     0.9028    -4.7020     0.4146	N.2	1	noname	-0.2620
7	C4     3.2868    -4.7465     1.1119	C.3	1	noname	0.0669
8	C5    -0.2593    -5.2697    -0.0434	C.2	1	noname	0.0271
9	C6    -1.4291    -4.4592    -0.2257	C.2	1	noname	-0.0002
10	C7    -1.4368    -3.0558     0.0595	C.2	1	noname	0.0497
11	C8    -2.6722    -5.0095    -0.7049	C.2	1	noname	-0.0198
12	N4    -2.5903    -2.3385    -0.1517	N.2	1	noname	-0.2525
13	N5    -0.3392    -2.4110     0.5536	N.3	1	noname	0.0116
14	C9    -3.8339    -4.2500    -0.8984	C.2	1	noname	-0.0466
15	C10    -3.7603    -2.8691    -0.6069	C.2	1	noname	-0.0001
16	C11    -0.3504    -1.0945     0.7854	C.2	1	noname	0.0023
17	C12    -0.0695    -0.1734    -0.2502	C.2	1	noname	0.0043
18	C13    -0.8768    -0.6221     2.0264	C.2	1	noname	-0.0397
19	C14    -0.3545     1.1821    -0.0842	C.2	1	noname	-0.0590
20	C15     0.4269    -0.3155    -1.5462	C.2	1	noname	0.0271
21	C16    -1.1771     0.7556     2.1808	C.2	1	noname	-0.0466
22	N6    -0.0101     1.8146    -1.2099	N.3	1	noname	-0.0266
23	C17    -0.9320     1.6735     1.1209	C.2	1	noname	-0.0486
24	N7     0.4414     0.9314    -2.0557	N.2	1	noname	-0.3151
25	H1     0.0899    -9.2316    -0.4763	H	1	noname	0.1257
26	H2     1.8377    -9.1557    -0.4763	H	1	noname	0.1257
27	H3    -1.1898    -7.1942    -0.7085	H	1	noname	0.0679
28	H4     3.2845    -4.7477     2.2019	H	1	noname	0.0312
29	H5     4.1558    -5.2959     0.7498	H	1	noname	0.0312
30	H6     3.3296    -3.7193     0.7498	H	1	noname	0.0312
31	H7    -2.7383    -6.0725    -0.9366	H	1	noname	0.0631
32	H8     0.5074    -2.9240     0.7538	H	1	noname	0.1357
33	H9    -4.7528    -4.7121    -1.2591	H	1	noname	0.0639
34	H10    -4.6157    -2.2057    -0.7346	H	1	noname	0.0839
35	H11    -1.0488    -1.3109     2.8534	H	1	noname	0.0639
36	H12     0.7419    -1.2236    -2.0604	H	1	noname	0.0863
37	H13    -1.5994     1.1114     3.1206	H	1	noname	0.0623
38	H14    -0.0801     2.8055    -1.3927	H	1	noname	0.1754
39	H15    -1.1810     2.7291     1.2298	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	5	8	2
8	6	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	10	13	1
14	11	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	4	25	1
29	4	26	1
30	5	27	1
31	7	28	1
32	7	29	1
33	7	30	1
34	11	31	1
35	13	32	1
36	14	33	1
37	15	34	1
38	18	35	1
39	20	36	1
40	21	37	1
41	22	38	1
42	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1