@<TRIPOS>MOLECULE
50333028
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -6.0632     3.0388     0.4667	N.2	1	noname	-0.2494
2	C1    -4.8551     2.3796     0.4111	C.2	1	noname	0.0170
3	C2    -6.1892     4.4128     0.3110	C.2	1	noname	-0.0088
4	C3    -3.6879     3.1641     0.1815	C.2	1	noname	0.0110
5	C4    -5.0513     5.2394     0.0796	C.2	1	noname	-0.0215
6	C5    -2.5460     2.5981     0.1225	C.1	1	noname	-0.0103
7	C6    -3.7840     4.5827     0.0170	C.2	1	noname	-0.0206
8	C7    -1.4853     2.0676     0.0692	C.1	1	noname	0.0159
9	C8    -0.3357     1.4723    -0.0000	C.2	1	noname	0.0596
10	N2     0.8655     2.0677    -0.1527	N.2	1	noname	-0.3013
11	C9    -0.0865     0.1119     0.1073	C.2	1	noname	0.0198
12	N3     1.8297     1.1883    -0.1928	N.3	1	noname	-0.0275
13	C10     1.3052    -0.0359    -0.0196	C.2	1	noname	-0.0524
14	C11    -0.9456    -0.9778     0.4276	C.2	1	noname	-0.0221
15	C12     1.9551    -1.2922     0.1751	C.2	1	noname	-0.0338
16	C13    -0.3067    -2.2289     0.6695	C.2	1	noname	-0.0506
17	C14     1.1115    -2.3838     0.5483	C.2	1	noname	-0.0490
18	H1    -4.8245     1.2978     0.5415	H	1	noname	0.0852
19	H2    -7.1878     4.8455     0.3708	H	1	noname	0.0839
20	H3    -5.1455     6.3183    -0.0431	H	1	noname	0.0639
21	H4    -2.8822     5.1695    -0.1579	H	1	noname	0.0636
22	H5     2.8042     1.4141    -0.3325	H	1	noname	0.1755
23	H6    -2.0279    -0.8611     0.4843	H	1	noname	0.0630
24	H7     3.0310    -1.4109     0.0464	H	1	noname	0.0643
25	H8    -0.9165    -3.0865     0.9535	H	1	noname	0.0622
26	H9     1.5604    -3.3574     0.7452	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	4	7	2
7	5	7	1
8	6	8	3
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	2
14	11	14	1
15	12	13	1
16	13	15	1
17	14	16	2
18	15	17	2
19	16	17	1
20	2	18	1
21	3	19	1
22	5	20	1
23	7	21	1
24	12	22	1
25	14	23	1
26	15	24	1
27	16	25	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1