@<TRIPOS>MOLECULE
97046700
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     0.6028     0.4240     0.6041	C.3	1	noname	-0.0057
2	C2     0.8326    -0.3141    -0.7112	C.3	1	noname	-0.0251
3	C3     1.9001    -0.3326     0.4061	C.3	1	noname	-0.0393
4	C4     0.9899     0.8310    -1.7468	C.3	1	noname	-0.0224
5	C5    -0.3852    -0.2494     1.5809	C.3	1	noname	-0.0376
6	C6     0.5444     1.8279     0.2495	C.2	1	noname	-0.0826
7	C7     0.7688     2.0650    -1.0432	C.2	1	noname	-0.0836
8	C8    -0.0641     0.6741    -2.8447	C.3	1	noname	-0.0587
9	C9    -0.5117     0.6018     2.8460	C.3	1	noname	-0.0619
10	C10    -1.7558    -0.3769     0.9129	C.3	1	noname	-0.0619
11	H1     0.1496    -1.1562    -0.8231	H	1	noname	0.0318
12	H2     1.8518    -1.2822     0.9390	H	1	noname	0.0279
13	H3     2.7696     0.2965     0.2155	H	1	noname	0.0279
14	H4     1.9891     0.8569    -2.1815	H	1	noname	0.0346
15	H5    -0.0163    -1.2404     1.8452	H	1	noname	0.0306
16	H6     0.3554     2.5443     0.9061	H	1	noname	0.0578
17	H7     0.7814     2.9632    -1.4593	H	1	noname	0.0575
18	H8     0.0464     1.4784    -3.5721	H	1	noname	0.0236
19	H9    -1.0592     0.7186    -2.4022	H	1	noname	0.0236
20	H10     0.0697    -0.2865    -3.3422	H	1	noname	0.0236
21	H11    -2.4533    -0.8523     1.6025	H	1	noname	0.0233
22	H12    -2.1248     0.6141     0.6486	H	1	noname	0.0233
23	H13    -1.6657    -0.9833     0.0117	H	1	noname	0.0233
24	H14    -1.2092     0.1264     3.5356	H	1	noname	0.0233
25	H15    -0.8807     1.5928     2.5817	H	1	noname	0.0233
26	H16     0.4647     0.6927     3.3219	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	5	1
4	1	6	1
5	2	3	1
6	2	4	1
7	2	11	1
8	3	12	1
9	3	13	1
10	4	7	1
11	4	8	1
12	4	14	1
13	5	9	1
14	5	10	1
15	5	15	1
16	6	7	2
17	6	16	1
18	7	17	1
19	8	18	1
20	8	19	1
21	8	20	1
22	9	24	1
23	9	25	1
24	9	26	1
25	10	21	1
26	10	22	1
27	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1