@<TRIPOS>MOLECULE
DB02871
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1597     0.2518     0.2530	S.2	1	noname	0.1496
2	O1    -0.9247    -0.5542    -0.9067	O.2	1	noname	-0.3162
3	C1    -0.3007     2.0567    -0.0975	C.3	1	noname	0.0089
4	C2     1.6635    -0.0175     0.1011	C.3	1	noname	0.0063
5	C3     0.9316     2.3883     0.7722	C.3	1	noname	-0.0341
6	C4     2.0961     1.3293     0.7032	C.3	1	noname	-0.0431
7	C5     0.4947     2.5719     2.2269	C.3	1	noname	-0.0500
8	C6    -0.5152     3.7178     2.3154	C.3	1	noname	-0.0533
9	C7    -0.9520     3.9014     3.7702	C.3	1	noname	-0.0561
10	C8    -1.9619     5.0474     3.8586	C.3	1	noname	-0.0654
11	H1    -0.0592     2.2951    -1.1333	H	1	noname	0.0349
12	H2    -1.1778     2.5003     0.3736	H	1	noname	0.0349
13	H3     2.0128    -0.7960     0.7794	H	1	noname	0.0346
14	H4     1.9844    -0.0180    -0.9406	H	1	noname	0.0346
15	H5     1.3228     3.3237     0.3721	H	1	noname	0.0307
16	H6     2.3743     1.1106     1.7342	H	1	noname	0.0274
17	H7     2.8371     1.7317     0.0124	H	1	noname	0.0274
18	H8    -0.0346     1.6632     2.5136	H	1	noname	0.0269
19	H9     1.3776     2.8868     2.7833	H	1	noname	0.0269
20	H10     0.0142     4.6265     2.0288	H	1	noname	0.0266
21	H11    -1.3980     3.4029     1.7591	H	1	noname	0.0266
22	H12    -1.4814     2.9927     4.0568	H	1	noname	0.0264
23	H13    -0.0692     4.2164     4.3265	H	1	noname	0.0264
24	H14    -2.1625     5.2749     4.9056	H	1	noname	0.0230
25	H15    -1.5537     5.9302     3.3667	H	1	noname	0.0230
26	H16    -2.8891     4.7534     3.3667	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	1
8	7	8	1
9	8	9	1
10	9	10	1
11	3	11	1
12	3	12	1
13	4	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	9	23	1
24	10	24	1
25	10	25	1
26	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1