@<TRIPOS>MOLECULE
DB01646
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1589    -3.4676    -1.4130	S.3	1	noname	-0.1652
2	C1    -1.0436    -1.8920    -0.5503	C.3	1	noname	-0.0050
3	C2    -2.7303    -4.2529    -1.0206	C.3	1	noname	-0.0184
4	C3     0.2921    -1.2245    -0.8839	C.3	1	noname	-0.0186
5	C4     0.3901     0.1147    -0.1506	C.3	1	noname	0.1006
6	N1    -0.6685     0.9522    -0.5579	N.3	1	noname	-0.0723
7	C5     1.6647     0.7517    -0.4689	C.2	1	noname	0.1440
8	C6    -1.5512     1.4032     0.3439	C.2	1	noname	0.0392
9	O1     2.4777     1.0135     0.4438	O.2	1	noname	-0.2494
10	O2     1.9651     1.0580    -1.7489	O.3	1	noname	-0.2138
11	O3    -2.4897     2.1456    -0.0173	O.2	1	noname	-0.2972
12	C7    -1.4166     1.0273     1.7482	C.3	1	noname	0.0095
13	H1    -1.7877    -1.2034    -0.9505	H	1	noname	0.0380
14	H2    -0.9868    -2.0692     0.5237	H	1	noname	0.0380
15	H3    -2.8471    -4.3113     0.0616	H	1	noname	0.0343
16	H4    -3.5456    -3.6654    -1.4428	H	1	noname	0.0343
17	H5    -2.7498    -5.2576    -1.4428	H	1	noname	0.0343
18	H6     1.0743    -1.8646    -0.4759	H	1	noname	0.0296
19	H7     0.2734    -0.9988    -1.9501	H	1	noname	0.0296
20	H8     0.3027     0.0144     0.9313	H	1	noname	0.0578
21	H9    -0.7977     1.2359    -1.5186	H	1	noname	0.1318
22	H10     2.0833     0.2491    -2.2522	H	1	noname	0.2213
23	H11    -1.4084    -0.0593     1.8344	H	1	noname	0.0324
24	H12    -0.4846     1.4303     2.1445	H	1	noname	0.0324
25	H13    -2.2564     1.4303     2.3143	H	1	noname	0.0324
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	2	13	1
13	2	14	1
14	3	15	1
15	3	16	1
16	3	17	1
17	4	18	1
18	4	19	1
19	5	20	1
20	6	21	1
21	10	22	1
22	12	23	1
23	12	24	1
24	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1