@<TRIPOS>MOLECULE
109374041
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4622     1.8363     0.1365	O.3	1	noname	-0.2775
2	O2    -2.1268     1.1238     0.3455	O.3	1	noname	-0.2765
3	O3     0.4680    -4.4163    -1.9164	O.3	1	noname	-0.2209
4	O4    -1.5005    -3.9860    -0.9361	O.2	1	noname	-0.2620
5	C1     1.5475     0.2109    -0.0246	C.2	1	noname	-0.0027
6	C2     0.1267    -0.0397     0.0018	C.2	1	noname	0.0017
7	C3     2.5378    -0.8922    -0.1401	C.3	1	noname	-0.0067
8	C4     2.1020     1.5142     0.1160	C.2	1	noname	-0.0040
9	C5    -0.7439     1.1003     0.1643	C.2	1	noname	-0.0013
10	C6    -0.3633    -1.3647    -0.0684	C.2	1	noname	0.0119
11	C7     1.2174     2.5757     0.3464	C.2	1	noname	-0.0203
12	C8    -0.1629     2.3762     0.3368	C.2	1	noname	-0.0174
13	C9    -1.1493    -1.8357     1.0481	C.3	1	noname	-0.0389
14	C10     2.7532    -1.6214     1.0897	C.2	1	noname	-0.0925
15	C11    -0.0168    -2.2206    -1.0696	C.2	1	noname	0.0656
16	C12     4.0122     2.0004    -1.1798	C.3	1	noname	0.0423
17	C13    -2.9714     0.5583    -0.6497	C.3	1	noname	0.0423
18	C14     3.4880    -2.7451     1.0983	C.2	1	noname	-0.0973
19	C15    -0.3826    -3.5491    -1.2959	C.2	1	noname	0.0929
20	H1     2.2225    -1.5832    -0.9218	H	1	noname	0.0360
21	H2     3.5222    -0.5071    -0.4063	H	1	noname	0.0360
22	H3     1.6034     3.5051     0.5508	H	1	noname	0.0651
23	H4    -0.7410     3.1819     0.5080	H	1	noname	0.0651
24	H5    -2.1440    -2.1144     0.7004	H	1	noname	0.0280
25	H6    -1.2332    -1.0443     1.7929	H	1	noname	0.0280
26	H7    -0.6637    -2.7039     1.4937	H	1	noname	0.0280
27	H8     2.3521    -1.3091     1.9509	H	1	noname	0.0573
28	H9     0.5854    -1.8700    -1.7578	H	1	noname	0.0689
29	H10     5.0706     2.2495    -1.1029	H	1	noname	0.0535
30	H11     3.4865     2.8038    -1.6957	H	1	noname	0.0535
31	H12     3.8971     1.0725    -1.7400	H	1	noname	0.0535
32	H13    -4.0127     0.6641    -0.3453	H	1	noname	0.0535
33	H14    -2.8151     1.0761    -1.5960	H	1	noname	0.0535
34	H15    -2.7337    -0.4986    -0.7702	H	1	noname	0.0535
35	H16     3.8803    -3.1203     0.2724	H	1	noname	0.0534
36	H17     3.6141    -3.2441     1.9466	H	1	noname	0.0534
37	H18     0.2223    -5.3583    -2.0376	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	8	1
2	1	16	1
3	2	9	1
4	2	17	1
5	3	19	1
6	3	37	1
7	4	19	2
8	5	6	1
9	5	7	1
10	5	8	2
11	6	9	2
12	6	10	1
13	7	14	1
14	7	20	1
15	7	21	1
16	8	11	1
17	9	12	1
18	10	13	1
19	10	15	2
20	11	12	2
21	11	22	1
22	12	23	1
23	13	24	1
24	13	25	1
25	13	26	1
26	14	18	2
27	14	27	1
28	15	19	1
29	15	28	1
30	16	29	1
31	16	30	1
32	16	31	1
33	17	32	1
34	17	33	1
35	17	34	1
36	18	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1