@<TRIPOS>MOLECULE
125242
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.6391    -5.1398     0.0000	N.2	1	noname	-0.2174
2	C1    -3.5682    -6.1243     0.0000	C.2	1	noname	0.0964
3	C2    -2.9907    -3.8006     0.0000	C.2	1	noname	0.0827
4	N2    -4.8753    -5.7734     0.0000	N.2	1	noname	-0.2276
5	N3    -3.2031    -7.4136    -0.0000	N.3	1	noname	-0.0771
6	N4    -4.3062    -3.4851     0.0000	N.2	1	noname	-0.2388
7	C3    -1.9949    -2.7668     0.0000	C.2	1	noname	0.0098
8	C4    -5.2565    -4.4606     0.0000	C.2	1	noname	0.0686
9	C5    -2.0992    -1.3124    -0.0000	C.2	1	noname	0.0624
10	C6    -0.6538    -3.2944     0.0000	C.2	1	noname	-0.0056
11	C7    -6.6729    -4.1066     0.0000	C.3	1	noname	0.0696
12	N5    -0.9308    -0.5824    -0.0000	N.2	1	noname	-0.2487
13	N6    -3.0708    -0.2922    -0.0000	N.3	1	noname	0.0101
14	C8     0.5065    -2.5124    -0.0000	C.2	1	noname	-0.0422
15	C9     0.3294    -1.1199    -0.0000	C.2	1	noname	0.0086
16	C10    -4.4138     0.0486    -0.0000	C.2	1	noname	-0.0326
17	C11    -4.8230     1.4350     0.0000	C.2	1	noname	-0.0056
18	C12    -5.4525    -0.9122    -0.0000	C.2	1	noname	-0.0408
19	N7    -6.1759     1.7266     0.0000	N.2	1	noname	-0.2692
20	C13    -6.8448    -0.6212    -0.0000	C.2	1	noname	-0.0379
21	C14    -7.1646     0.7626    -0.0000	C.2	1	noname	-0.0020
22	N8    -8.4504     1.1400    -0.0000	N.3	1	noname	-0.1244
23	H1    -3.9070    -8.1378    -0.0000	H	1	noname	0.1273
24	H2    -2.2238    -7.6611    -0.0000	H	1	noname	0.1273
25	H3    -0.5048    -4.3741     0.0000	H	1	noname	0.0631
26	H4    -7.0254    -4.0185     1.0277	H	1	noname	0.0312
27	H5    -6.8097    -3.1551    -0.5138	H	1	noname	0.0312
28	H6    -7.2412    -4.8820    -0.5138	H	1	noname	0.0312
29	H7    -2.5864     0.5940     0.0000	H	1	noname	0.1358
30	H8     1.4981    -2.9650    -0.0000	H	1	noname	0.0639
31	H9     1.1850    -0.4446    -0.0000	H	1	noname	0.0839
32	H10    -4.1113     2.2606     0.0000	H	1	noname	0.0857
33	H11    -5.1562    -1.9612    -0.0000	H	1	noname	0.0641
34	H12    -7.6083    -1.3992    -0.0000	H	1	noname	0.0656
35	H13    -8.6886     2.1215    -0.0000	H	1	noname	0.1257
36	H14    -9.1813     0.4429    -0.0000	H	1	noname	0.1257
@<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	18	20	2
22	19	21	2
23	20	21	1
24	21	22	1
25	5	23	1
26	5	24	1
27	10	25	1
28	11	26	1
29	11	27	1
30	11	28	1
31	13	29	1
32	14	30	1
33	15	31	1
34	17	32	1
35	18	33	1
36	20	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1