@<TRIPOS>MOLECULE
71587335
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     3.9535    -1.8741     0.8638	C.3	1	noname	-0.0527
2	C2     3.3684    -1.0544    -0.2880	C.3	1	noname	-0.0350
3	C3     5.4801    -1.7755     0.8360	C.3	1	noname	-0.0651
4	C4     1.9417    -1.1466    -0.2620	C.2	1	noname	-0.0778
5	C5     1.2067    -0.0471    -0.1218	C.2	1	noname	-0.0705
6	C6    -0.1204    -0.1328    -0.0976	C.2	1	noname	-0.0645
7	C7    -0.8553     0.9667     0.0426	C.2	1	noname	-0.0627
8	C8    -2.1824     0.8810     0.0668	C.2	1	noname	-0.0629
9	C9    -2.9174     1.9805     0.2070	C.2	1	noname	-0.0662
10	C10    -2.3253     3.1659     0.3230	C.2	1	noname	-0.0761
11	C11    -3.0603     4.2654     0.4632	C.2	1	noname	-0.0882
12	H1     3.5816    -1.4857     1.8119	H	1	noname	0.0267
13	H2     3.6548    -2.9169     0.7562	H	1	noname	0.0267
14	H3     3.6672    -0.0117    -0.1803	H	1	noname	0.0309
15	H4     3.7404    -1.4429    -1.2360	H	1	noname	0.0309
16	H5     5.8970    -2.3595     1.6566	H	1	noname	0.0230
17	H6     5.7788    -0.7328     0.9437	H	1	noname	0.0230
18	H7     5.8521    -2.1640    -0.1121	H	1	noname	0.0230
19	H8     1.5010    -2.0289    -0.3483	H	1	noname	0.0575
20	H9     1.6473     0.8352    -0.0354	H	1	noname	0.0619
21	H10    -0.5610    -1.0151    -0.1839	H	1	noname	0.0622
22	H11    -0.4147     1.8490     0.1290	H	1	noname	0.0622
23	H12    -2.6230    -0.0013    -0.0195	H	1	noname	0.0622
24	H13    -3.9051     1.9167     0.2250	H	1	noname	0.0622
25	H14    -1.3376     3.2297     0.3050	H	1	noname	0.0616
26	H15    -2.6197     5.1477     0.5496	H	1	noname	0.0537
27	H16    -4.0481     4.2016     0.4812	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	12	1
4	1	13	1
5	2	4	1
6	2	14	1
7	2	15	1
8	3	16	1
9	3	17	1
10	3	18	1
11	4	5	2
12	4	19	1
13	5	6	1
14	5	20	1
15	6	7	2
16	6	21	1
17	7	8	1
18	7	22	1
19	8	9	2
20	8	23	1
21	9	10	1
22	9	24	1
23	10	11	2
24	10	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1