@<TRIPOS>MOLECULE
50315449
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0571    -1.5304    -0.1300	O.2	1	noname	-0.2792
2	C1     1.4594    -0.4373    -0.2314	C.2	1	noname	0.1082
3	C2     0.3696     0.1343     0.5350	C.2	1	noname	0.0287
4	C3     1.6311     0.6617    -1.1481	C.2	1	noname	0.0597
5	C4    -0.3045    -0.3937     1.6714	C.2	1	noname	0.0574
6	C5     0.0076     1.3719    -0.0367	C.2	1	noname	0.0608
7	O2     0.7750     1.6905    -1.0849	O.3	1	noname	-0.1810
8	C6     2.6642     0.6780    -1.9929	C.2	1	noname	0.0255
9	O3     0.0558    -1.5686     2.2303	O.3	1	noname	-0.2747
10	C7    -1.3840     0.3874     2.1892	C.2	1	noname	0.0003
11	C8    -1.0657     2.1591     0.4652	C.2	1	noname	0.0030
12	C9     3.1245     1.7586    -2.7285	C.2	1	noname	-0.0316
13	C10    -1.7600     1.6352     1.5949	C.2	1	noname	0.0353
14	C11     4.1732     1.7250    -3.6304	C.2	1	noname	-0.0194
15	C12     2.8303     3.1215    -2.5339	C.2	1	noname	-0.0981
16	O4    -2.7938     2.3300     2.1155	O.3	1	noname	-0.2805
17	C13     4.4464     3.0722    -3.9767	C.2	1	noname	-0.0927
18	C14     4.9828     0.6466    -4.0893	C.2	1	noname	-0.0033
19	N1     3.6259     3.8870    -3.3047	N.3	1	noname	-0.0705
20	C15     5.5469     3.4368    -4.8007	C.2	1	noname	-0.0323
21	C16     6.0812     1.0041    -4.9205	C.2	1	noname	0.0095
22	C17     6.3712     2.3614    -5.2418	C.2	1	noname	-0.0157
23	O5     6.8710     0.0292    -5.4188	O.3	1	noname	-0.2765
24	C18     7.9359    -0.2257    -4.5147	C.3	1	noname	0.0423
25	H1     3.1787    -0.2780    -2.0908	H	1	noname	0.0658
26	H2     0.0314    -1.4888     3.1867	H	1	noname	0.2182
27	H3    -1.9331     0.0229     3.0573	H	1	noname	0.0677
28	H4    -1.3406     3.1104     0.0096	H	1	noname	0.0678
29	H5     2.0754     3.5352    -1.8652	H	1	noname	0.0795
30	H6    -2.7492     2.3000     3.0739	H	1	noname	0.2181
31	H7     4.7744    -0.3890    -3.8208	H	1	noname	0.0657
32	H8     3.6101     4.8949    -3.3678	H	1	noname	0.1522
33	H9     5.7456     4.4725    -5.0760	H	1	noname	0.0643
34	H10     7.2518     2.5842    -5.8443	H	1	noname	0.0650
35	H11     7.5721    -0.1386    -3.4909	H	1	noname	0.0535
36	H12     8.3194    -1.2326    -4.6796	H	1	noname	0.0535
37	H13     8.7337     0.4985    -4.6796	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	5	10	1
10	6	11	2
11	6	7	1
12	8	12	1
13	10	13	2
14	11	13	1
15	12	14	1
16	12	15	2
17	13	16	1
18	14	17	2
19	14	18	1
20	15	19	1
21	17	20	1
22	17	19	1
23	18	21	2
24	20	22	2
25	21	23	1
26	21	22	1
27	23	24	1
28	8	25	1
29	9	26	1
30	10	27	1
31	11	28	1
32	15	29	1
33	16	30	1
34	18	31	1
35	19	32	1
36	20	33	1
37	22	34	1
38	24	35	1
39	24	36	1
40	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1