@<TRIPOS>MOLECULE
119025630
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.9521    -2.8059    -1.0961	N.3	1	noname	-0.3276
2	C1    -1.3161    -1.0808     0.5129	C.3	1	noname	0.0143
3	C2    -1.2143    -1.5536    -0.9386	C.3	1	noname	0.0052
4	C3    -0.5794     0.1699     0.6702	C.2	1	noname	-0.0619
5	C4     0.7664     0.1448     1.0170	C.2	1	noname	-0.0609
6	C5     0.2553    -1.7785    -1.2998	C.3	1	noname	-0.0497
7	C6    -1.2238     1.3856     0.4732	C.2	1	noname	-0.0652
8	C7     1.4678     1.3354     1.1668	C.2	1	noname	-0.0679
9	C8     1.4433    -1.1322     1.2239	C.3	1	noname	-0.0019
10	C9    -0.5224     2.5763     0.6230	C.2	1	noname	-0.0714
11	C10     0.8234     2.5512     0.9698	C.2	1	noname	-0.0700
12	H1    -2.3631    -0.9205     0.7703	H	1	noname	0.0332
13	H2    -0.8917    -1.8379     1.1723	H	1	noname	0.0332
14	H3    -1.6387    -0.7965    -1.5980	H	1	noname	0.0462
15	H4     0.8053    -0.8448    -1.1824	H	1	noname	0.0246
16	H5     0.3279    -2.1153    -2.3339	H	1	noname	0.0246
17	H6     0.6797    -2.5356    -0.6405	H	1	noname	0.0246
18	H7    -2.2114     1.4040     0.2188	H	1	noname	0.0625
19	H8    -2.9337    -2.6557    -0.8548	H	1	noname	0.1186
20	H9    -1.8840    -3.1217    -2.0657	H	1	noname	0.1186
21	H10     2.4554     1.3170     1.4212	H	1	noname	0.0625
22	H11     1.8270    -1.1790     2.2430	H	1	noname	0.0280
23	H12     0.7379    -1.9475     1.0635	H	1	noname	0.0280
24	H13     2.2702    -1.2234     0.5197	H	1	noname	0.0280
25	H14    -0.9953     3.4684     0.4784	H	1	noname	0.0622
26	H15     1.3381     3.4249     1.0797	H	1	noname	0.0622
@<TRIPOS>BOND
1	3	1	1
2	1	19	1
3	1	20	1
4	2	3	1
5	2	4	1
6	2	12	1
7	2	13	1
8	3	6	1
9	3	14	1
10	4	5	1
11	4	7	2
12	5	8	2
13	5	9	1
14	6	15	1
15	6	16	1
16	6	17	1
17	7	10	1
18	7	18	1
19	8	11	1
20	8	21	1
21	9	22	1
22	9	23	1
23	9	24	1
24	10	11	2
25	10	25	1
26	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1