@<TRIPOS>MOLECULE
91810657
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3467     0.8816    -0.9959	O.3	1	noname	-0.3773
2	O2     2.4661    -0.0245     1.5678	O.3	1	noname	-0.3919
3	O3     0.2955     1.3646    -5.6466	O.3	1	noname	-0.2098
4	O4    -0.8910     2.5237    -4.1231	O.2	1	noname	-0.2579
5	O5     5.3926    -0.9699    -4.7733	O.3	1	noname	-0.2147
6	O6     3.3570    -0.9350    -3.8103	O.2	1	noname	-0.2505
7	N1     3.4281     1.5122    -3.0389	N.3	1	noname	-0.1270
8	C1     1.9323     1.1520    -1.1296	C.3	1	noname	0.0295
9	C2     0.8208     1.7391    -2.0686	C.3	1	noname	0.0047
10	C3     3.2358     0.7182    -1.8652	C.3	1	noname	0.1184
11	C4    -0.4244     0.9032    -1.7391	C.3	1	noname	-0.0268
12	C5     1.2878     0.0599    -0.4371	C.2	1	noname	-0.0555
13	C6     1.1510     1.7788    -3.5007	C.2	1	noname	0.0654
14	C7     0.0069    -0.0601    -0.7556	C.2	1	noname	-0.0676
15	C8     2.4304     1.6906    -3.9137	C.2	1	noname	-0.0727
16	C9     1.9585    -0.7976     0.4902	C.3	1	noname	0.0647
17	C10     4.5791     1.0695    -3.7225	C.3	1	noname	0.0911
18	C11     0.1548     1.9058    -4.4178	C.2	1	noname	0.1028
19	C12     4.4106    -0.3297    -4.1038	C.2	1	noname	0.1425
20	C13    -0.8476     0.9181    -6.3609	C.3	1	noname	0.0457
21	H1     2.2154     1.8962    -0.3753	H	1	noname	0.0397
22	H2     0.6141     2.7541    -1.7443	H	1	noname	0.0365
23	H3     3.1028    -0.3149    -2.1863	H	1	noname	0.0786
24	H4    -1.1899     1.5469    -1.3059	H	1	noname	0.0316
25	H5    -0.8943     0.4366    -2.6049	H	1	noname	0.0316
26	H6    -0.5925    -0.7410    -0.3592	H	1	noname	0.0576
27	H7     2.6361     1.7588    -4.8797	H	1	noname	0.0757
28	H8     1.2565    -1.5382     0.8734	H	1	noname	0.0611
29	H9     2.7820    -1.3039    -0.0133	H	1	noname	0.0611
30	H10     4.7257     1.6747    -4.6171	H	1	noname	0.0543
31	H11     5.4481     1.1666    -3.0717	H	1	noname	0.0543
32	H12     4.4272     1.8248    -0.7426	H	1	noname	0.2122
33	H13     2.9258    -0.6122     2.2033	H	1	noname	0.2104
34	H14    -0.5388     0.5147    -7.3252	H	1	noname	0.0536
35	H15    -1.5277     1.7553    -6.5182	H	1	noname	0.0536
36	H16    -1.3539     0.1415    -5.7875	H	1	noname	0.0536
37	H17     5.5146    -1.9355    -4.6591	H	1	noname	0.2213
@<TRIPOS>BOND
1	10	1	1
2	1	32	1
3	2	16	1
4	2	33	1
5	3	18	1
6	3	20	1
7	4	18	2
8	5	19	1
9	5	37	1
10	6	19	2
11	7	10	1
12	7	15	1
13	7	17	1
14	8	9	1
15	8	10	1
16	8	12	1
17	8	21	1
18	9	11	1
19	9	13	1
20	9	22	1
21	10	23	1
22	11	14	1
23	11	24	1
24	11	25	1
25	12	14	2
26	12	16	1
27	13	15	2
28	13	18	1
29	14	26	1
30	15	27	1
31	16	28	1
32	16	29	1
33	17	19	1
34	17	30	1
35	17	31	1
36	20	34	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1