@<TRIPOS>MOLECULE
91810633
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.8852    -1.6174     0.5897	O.2	1	noname	-0.2698
2	O2    -7.8636     1.9007    -1.2224	O.3	1	noname	-0.2869
3	N1    -2.8696    -2.2189     2.0634	N.3	1	noname	-0.3062
4	N2    -3.8577    -0.9705    -1.2963	N.3	1	noname	-0.1356
5	C1    -2.5563    -1.9800     0.6313	C.3	1	noname	0.0817
6	C2    -2.0957    -3.2559    -0.1723	C.3	1	noname	-0.0292
7	C3    -1.6357    -4.3732     0.7923	C.3	1	noname	-0.0501
8	C4    -2.6386    -4.7107     1.9365	C.3	1	noname	-0.0406
9	C5    -3.4947    -3.5175     2.4235	C.3	1	noname	-0.0041
10	C6    -3.7956    -1.4519    -0.0194	C.2	1	noname	0.1380
11	C7    -4.9411    -0.3329    -1.8711	C.2	1	noname	-0.0281
12	C8    -5.8170     0.5714    -1.1762	C.2	1	noname	-0.0093
13	C9    -5.1959    -0.6012    -3.2566	C.2	1	noname	-0.0485
14	C10    -6.9603     1.0848    -1.8327	C.2	1	noname	-0.0142
15	C11    -6.3261    -0.0300    -3.8888	C.2	1	noname	-0.0615
16	C12    -5.6161     1.1078     0.1835	C.3	1	noname	0.0164
17	C13    -4.3271    -1.4425    -4.1309	C.3	1	noname	0.0030
18	C14    -7.2098     0.7859    -3.1840	C.2	1	noname	-0.0376
19	H1    -1.7483    -1.2139     0.5941	H	1	noname	0.0562
20	H2    -2.9038    -3.6553    -0.8026	H	1	noname	0.0287
21	H3    -1.2675    -2.9793    -0.8387	H	1	noname	0.0287
22	H4    -1.4360    -5.2642     0.2095	H	1	noname	0.0268
23	H5    -0.6949    -4.0467     1.2314	H	1	noname	0.0268
24	H6    -3.3007    -5.5322     1.6214	H	1	noname	0.0279
25	H7    -2.0556    -5.0652     2.7936	H	1	noname	0.0279
26	H8    -4.5073    -3.6041     1.9841	H	1	noname	0.0428
27	H9    -3.6311    -3.5598     3.4964	H	1	noname	0.0428
28	H10    -2.1346    -1.9421     2.7175	H	1	noname	0.1229
29	H11    -3.0951    -1.1458    -1.8801	H	1	noname	0.1371
30	H12    -6.5456    -0.1896    -4.8809	H	1	noname	0.0626
31	H13    -6.0486     0.4393     0.9301	H	1	noname	0.0281
32	H14    -6.0843     2.0892     0.2598	H	1	noname	0.0281
33	H15    -4.5486     1.1367     0.4022	H	1	noname	0.0281
34	H16    -4.2687    -2.4513    -3.7222	H	1	noname	0.0280
35	H17    -4.7504    -1.4810    -5.1346	H	1	noname	0.0280
36	H18    -3.3277    -1.0096    -4.1744	H	1	noname	0.0280
37	H19    -8.0347     1.1935    -3.6495	H	1	noname	0.0650
38	H20    -8.5722     2.1361    -1.8571	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	10	2
2	2	14	1
3	2	38	1
4	3	5	1
5	3	9	1
6	3	28	1
7	4	10	1
8	4	11	1
9	4	29	1
10	5	6	1
11	5	10	1
12	5	19	1
13	6	7	1
14	6	20	1
15	6	21	1
16	7	8	1
17	7	22	1
18	7	23	1
19	8	9	1
20	8	24	1
21	8	25	1
22	9	26	1
23	9	27	1
24	11	12	1
25	11	13	2
26	12	14	2
27	12	16	1
28	13	15	1
29	13	17	1
30	14	18	1
31	15	18	2
32	15	30	1
33	16	31	1
34	16	32	1
35	16	33	1
36	17	34	1
37	17	35	1
38	17	36	1
39	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1