@<TRIPOS>MOLECULE
117587528
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1926     1.3611    -4.2414	O.3	1	noname	0.0000
2	O2     1.0248     1.7092    -4.0555	O.2	1	noname	0.0000
3	N1     1.5694    -0.5615    -3.0250	N.2	1	noname	0.0000
4	N2     1.2131     0.3776    -0.7901	N.3	1	noname	0.0000
5	N3     3.4264    -0.3892    -1.5038	N.3	1	noname	0.0000
6	N4     3.2072     0.9457     0.3614	N.2	1	noname	0.0000
7	N5     5.0698    -0.2640     0.0708	N.3	1	noname	0.0000
8	C1     2.0366    -0.2275    -1.8867	C.2	1	noname	0.0000
9	C2     0.2362    -0.3721    -3.3035	C.3	1	noname	0.0000
10	C3     1.9515     1.4429    -0.0488	C.3	1	noname	0.0000
11	C4     2.3986    -1.1111    -3.9742	C.3	1	noname	0.0000
12	C5     3.8870     0.1093    -0.3509	C.2	1	noname	0.0000
13	C6     0.0442     0.9528    -3.8859	C.2	1	noname	0.0000
14	H1     0.3990     0.7491    -1.1645	H	1	noname	0.0000
15	H2    -0.3420    -0.4516    -2.3829	H	1	noname	0.0000
16	H3    -0.0989    -1.1316    -4.0098	H	1	noname	0.0000
17	H4     1.3755     1.7421     0.8268	H	1	noname	0.0000
18	H5     2.0968     2.2809    -0.7305	H	1	noname	0.0000
19	H6     3.6742    -1.3244    -1.5736	H	1	noname	0.0000
20	H7     2.0405    -2.1065    -4.2371	H	1	noname	0.0000
21	H8     2.4023    -0.4799    -4.8628	H	1	noname	0.0000
22	H9     3.4104    -1.1826    -3.5752	H	1	noname	0.0000
23	H10     5.4567    -0.8885    -0.5627	H	1	noname	0.0000
24	H11     4.9839    -0.6931     0.9365	H	1	noname	0.0000
25	H12    -1.4223     2.3132    -4.2094	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	13	1
2	1	25	1
3	2	13	2
4	3	8	2
5	3	9	1
6	3	11	1
7	4	8	1
8	4	10	1
9	4	14	1
10	5	8	1
11	5	12	1
12	5	19	1
13	6	10	1
14	6	12	2
15	7	12	1
16	7	23	1
17	7	24	1
18	9	13	1
19	9	15	1
20	9	16	1
21	10	17	1
22	10	18	1
23	11	20	1
24	11	21	1
25	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1