@<TRIPOS>MOLECULE
DB02851
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.5151    -0.3353    -3.0242	S.2	1	noname	-0.1476
2	C1    -0.0310    -0.7508    -1.4689	C.2	1	noname	0.0583
3	C2     0.3445    -0.1237    -0.1007	C.3	1	noname	0.0043
4	C3    -1.0339    -1.8548    -1.0483	C.3	1	noname	-0.0175
5	C4     0.3681    -1.3597     0.7929	C.3	1	noname	-0.0223
6	C5    -0.7868     0.7029     0.5775	C.3	1	noname	-0.0424
7	C6     1.6950     0.5938    -0.1386	C.3	1	noname	-0.0545
8	C7    -1.0887    -1.6718     0.4932	C.3	1	noname	-0.0308
9	C8     1.2596    -2.4299     0.1597	C.3	1	noname	-0.0588
10	C9     0.6833    -1.0533     2.2583	C.3	1	noname	-0.0588
11	C10    -1.8278    -0.3860     0.9627	C.3	1	noname	-0.0487
12	H1    -2.0118    -1.6034    -1.4590	H	1	noname	0.0324
13	H2    -0.5854    -2.8246    -1.2633	H	1	noname	0.0324
14	H3    -0.3894     1.1329     1.4968	H	1	noname	0.0276
15	H4    -1.2350     1.3492    -0.1772	H	1	noname	0.0276
16	H5     2.0382     0.7761     0.8798	H	1	noname	0.0240
17	H6     2.4221    -0.0278    -0.6612	H	1	noname	0.0240
18	H7     1.5870     1.5442    -0.6612	H	1	noname	0.0240
19	H8    -1.5598    -2.5346     0.9640	H	1	noname	0.0312
20	H9     1.7435    -3.0108     0.9448	H	1	noname	0.0236
21	H10     0.6514    -3.0903    -0.4584	H	1	noname	0.0236
22	H11     2.0189    -1.9510    -0.4584	H	1	noname	0.0236
23	H12     0.8015    -1.9873     2.8076	H	1	noname	0.0236
24	H13     1.6066    -0.4771     2.3185	H	1	noname	0.0236
25	H14    -0.1335    -0.4771     2.6929	H	1	noname	0.0236
26	H15    -1.9169    -0.4129     2.0487	H	1	noname	0.0270
27	H16    -2.7165    -0.2508     0.3461	H	1	noname	0.0270
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	3	7	1
7	8	4	1
8	5	9	1
9	5	10	1
10	5	8	1
11	6	11	1
12	8	11	1
13	4	12	1
14	4	13	1
15	6	14	1
16	6	15	1
17	7	16	1
18	7	17	1
19	7	18	1
20	8	19	1
21	9	20	1
22	9	21	1
23	9	22	1
24	10	23	1
25	10	24	1
26	10	25	1
27	11	26	1
28	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1