@<TRIPOS>MOLECULE
128640
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3756    -0.0189    -0.0215	O.3	1	noname	-0.3541
2	C1     1.7658     1.2848    -0.0712	C.2	1	noname	0.1319
3	C2     0.0486    -0.0208     0.0999	C.2	1	noname	0.0295
4	N1     0.7256     2.1305     0.0121	N.2	1	noname	-0.2006
5	N2     3.0411     1.6787    -0.1895	N.3	1	noname	-0.0643
6	C3    -0.3411     1.3288     0.1087	C.2	1	noname	0.0451
7	C4    -0.8145    -1.1420     0.1909	C.2	1	noname	0.0035
8	C5    -1.6951     1.6778     0.1912	C.2	1	noname	0.0148
9	C6    -2.1784    -0.7697     0.2585	C.2	1	noname	-0.0224
10	C7    -2.6578     0.6015     0.2460	C.2	1	noname	-0.0179
11	C8    -4.0827     0.9016     0.2776	C.2	1	noname	-0.0129
12	C9    -5.0945    -0.1000     0.3351	C.2	1	noname	0.0203
13	C10    -4.6171     2.2237     0.2535	C.2	1	noname	0.0203
14	N3    -6.4347     0.1782     0.3693	N.2	1	noname	-0.2334
15	N4    -5.9551     2.5010     0.2879	N.2	1	noname	-0.2334
16	C11    -6.8672     1.4792     0.3468	C.2	1	noname	0.0814
17	N5    -8.1788     1.7513     0.3825	N.3	1	noname	-0.0808
18	H1     3.7798     0.9914    -0.2341	H	1	noname	0.1278
19	H2     3.2635     2.6629    -0.2341	H	1	noname	0.1278
20	H3    -0.4679    -2.1753     0.2070	H	1	noname	0.0651
21	H4    -1.9835     2.7288     0.2117	H	1	noname	0.0652
22	H5    -2.8997    -1.5843     0.3238	H	1	noname	0.0630
23	H6    -4.8235    -1.1556     0.3543	H	1	noname	0.0847
24	H7    -3.9532     3.0869     0.2053	H	1	noname	0.0847
25	H8    -8.4954     2.7104     0.3959	H	1	noname	0.1273
26	H9    -8.8508     0.9975     0.3959	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	6	8	1
9	7	9	2
10	8	10	2
11	9	10	1
12	10	11	1
13	11	12	2
14	11	13	1
15	12	14	1
16	13	15	2
17	14	16	2
18	15	16	1
19	16	17	1
20	5	18	1
21	5	19	1
22	7	20	1
23	8	21	1
24	9	22	1
25	12	23	1
26	13	24	1
27	17	25	1
28	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1