@<TRIPOS>MOLECULE
172244
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.0933    -5.1634     0.8664	N.2	1	noname	-0.2633
2	C1     5.2682    -5.2585     0.1340	C.2	1	noname	0.0172
3	C2     3.2294    -4.0930     0.7760	C.2	1	noname	0.0129
4	N2     6.0500    -6.3364     0.2844	N.3	1	noname	-0.1209
5	C3     5.6606    -4.2323    -0.7756	C.2	1	noname	-0.0315
6	C4     3.5790    -3.0414    -0.1207	C.2	1	noname	-0.0258
7	C5     4.7840    -3.1092    -0.8905	C.2	1	noname	-0.0244
8	C6     2.8146    -2.0296    -0.2438	C.1	1	noname	-0.0287
9	C7     2.1035    -1.0849    -0.3613	C.1	1	noname	-0.0189
10	C8     1.2911    -0.0697    -0.4483	C.2	1	noname	0.0173
11	C9     0.0992     0.0275     0.3762	C.2	1	noname	-0.0034
12	C10     1.6003     0.9652    -1.3732	C.2	1	noname	0.0214
13	C11    -0.1224    -0.8188     1.5420	C.2	1	noname	0.0128
14	C12    -0.8290     1.0952     0.1416	C.2	1	noname	-0.0167
15	N3     0.6940     1.9955    -1.4696	N.2	1	noname	-0.2560
16	C13     2.8173     0.9358    -2.1791	C.3	1	noname	0.0382
17	C14    -1.2972    -1.0437     2.2726	C.2	1	noname	0.0292
18	C15     0.8412    -1.4521     2.3313	C.2	1	noname	-0.0643
19	C16    -0.4936     2.1011    -0.7942	C.2	1	noname	-0.0084
20	N4    -0.9922    -1.6979     3.4032	N.2	1	noname	-0.2948
21	N5     0.2726    -1.9410     3.4376	N.3	1	noname	-0.0215
22	C17     0.9484    -2.6147     4.4756	C.3	1	noname	-0.0377
23	H1     2.3215    -4.0790     1.3791	H	1	noname	0.0853
24	H2     5.6366    -7.2561     0.3411	H	1	noname	0.1257
25	H3     7.0527    -6.2290     0.3411	H	1	noname	0.1257
26	H4     6.5825    -4.3029    -1.3529	H	1	noname	0.0656
27	H5     5.0368    -2.2966    -1.5716	H	1	noname	0.0637
28	H6    -1.7813     1.1417     0.6699	H	1	noname	0.0645
29	H7     3.6873     0.9147    -1.5228	H	1	noname	0.0296
30	H8     2.8151     0.0456    -2.8081	H	1	noname	0.0296
31	H9     2.8582     1.8250    -2.8081	H	1	noname	0.0296
32	H10    -2.3105    -0.7498     1.9987	H	1	noname	0.0863
33	H11     1.9041    -1.5522     2.1115	H	1	noname	0.0815
34	H12    -1.1456     2.9516    -0.9933	H	1	noname	0.0839
35	H13     0.8547    -3.6911     4.3316	H	1	noname	0.0453
36	H14     2.0024    -2.3369     4.4632	H	1	noname	0.0453
37	H15     0.5107    -2.3369     5.4344	H	1	noname	0.0453
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	5	7	2
7	6	8	1
8	6	7	1
9	8	9	3
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	12	16	1
17	13	17	1
18	13	18	2
19	14	19	2
20	15	19	1
21	17	20	2
22	18	21	1
23	20	21	1
24	21	22	1
25	3	23	1
26	4	24	1
27	4	25	1
28	5	26	1
29	7	27	1
30	14	28	1
31	16	29	1
32	16	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	22	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1