@<TRIPOS>MOLECULE
71587348
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3686     0.2649    -0.0855	O.3	1	noname	-0.1955
2	O2    -0.6270     2.9134    -0.4103	O.3	1	noname	-0.3682
3	O3    -1.9654    -0.3106    -0.1064	O.2	1	noname	-0.2442
4	C1     2.5945     1.1008     0.4920	C.3	1	noname	-0.0238
5	C2     1.0921     1.3890     0.5172	C.3	1	noname	0.0907
6	C3     2.8823    -0.1753     1.2856	C.3	1	noname	-0.0507
7	C4     4.3847    -0.4635     1.2605	C.3	1	noname	-0.0534
8	C5     0.8017     2.7179    -0.2630	C.3	1	noname	0.0743
9	C6     4.6726    -1.7395     2.0540	C.3	1	noname	-0.0561
10	C7    -1.2573     1.8402    -1.1515	C.3	1	noname	0.1327
11	C8    -1.0461     0.4838    -0.4002	C.2	1	noname	0.1551
12	C9     6.1750    -2.0278     2.0289	C.3	1	noname	-0.0654
13	H1     2.9220     0.9690    -0.5392	H	1	noname	0.0294
14	H2     3.1323     1.9364     0.9400	H	1	noname	0.0294
15	H3     0.7090     1.5164     1.5296	H	1	noname	0.0634
16	H4     2.3445    -1.0108     0.8376	H	1	noname	0.0267
17	H5     2.5548    -0.0434     2.3169	H	1	noname	0.0267
18	H6     4.7122    -0.5953     0.2292	H	1	noname	0.0266
19	H7     4.9225     0.3721     1.7085	H	1	noname	0.0266
20	H8     1.2293     3.5597     0.2816	H	1	noname	0.0594
21	H9     1.2251     2.6101    -1.2616	H	1	noname	0.0594
22	H10     4.1348    -2.5751     1.6060	H	1	noname	0.0264
23	H11     4.3451    -1.6077     3.0853	H	1	noname	0.0264
24	H12    -2.3245     2.0413    -1.2453	H	1	noname	0.0676
25	H13    -0.7250     1.7812    -2.1009	H	1	noname	0.0676
26	H14     6.3800    -2.9368     2.5943	H	1	noname	0.0230
27	H15     6.5024    -2.1596     0.9977	H	1	noname	0.0230
28	H16     6.7128    -1.1922     2.4769	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	8	1
4	2	10	1
5	3	11	2
6	4	5	1
7	4	6	1
8	4	13	1
9	4	14	1
10	5	8	1
11	5	15	1
12	6	7	1
13	6	16	1
14	6	17	1
15	7	9	1
16	7	18	1
17	7	19	1
18	8	20	1
19	8	21	1
20	9	12	1
21	9	22	1
22	9	23	1
23	10	11	1
24	10	24	1
25	10	25	1
26	12	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1