@<TRIPOS>MOLECULE
76972622
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2778    -3.8277     0.4532	O.3	1	noname	-0.3867
2	O2    -3.9974     0.4531    -2.4550	O.3	1	noname	-0.2759
3	O3    -5.5562     0.8527    -0.1477	O.3	1	noname	-0.2762
4	N1     1.2898    -2.6510     1.1663	N.3	1	noname	-0.3088
5	C1     0.0630    -1.8183     1.1155	C.3	1	noname	0.0370
6	C2    -0.9884    -2.4645     0.1261	C.3	1	noname	0.0945
7	C3    -0.3548    -1.6863     2.6099	C.3	1	noname	-0.0377
8	C4     2.1558    -2.7421    -0.0282	C.3	1	noname	0.0015
9	C5    -2.2495    -1.6986    -0.0391	C.2	1	noname	-0.0456
10	C6    -0.9830    -0.3751     3.1159	C.3	1	noname	-0.0638
11	C7     3.3474    -3.6530     0.2740	C.3	1	noname	-0.0500
12	C8     2.6618    -1.3466    -0.3990	C.3	1	noname	-0.0500
13	C9    -2.5493    -0.9862    -1.2249	C.2	1	noname	-0.0120
14	C10    -3.1682    -1.6660     1.0393	C.2	1	noname	-0.0520
15	C11    -3.6939    -0.1645    -1.2937	C.2	1	noname	0.0255
16	C12    -4.1764    -0.6783     1.0447	C.2	1	noname	-0.0209
17	C13    -4.4737     0.0239    -0.1414	C.2	1	noname	0.0226
18	H1     0.3294    -0.8225     0.7676	H	1	noname	0.0495
19	H2    -0.5145    -2.5167    -0.8615	H	1	noname	0.0668
20	H3    -0.9947    -2.5251     2.8837	H	1	noname	0.0281
21	H4     0.5709    -1.7717     3.1790	H	1	noname	0.0281
22	H5     1.0501    -3.5917     1.4858	H	1	noname	0.1228
23	H6     1.5850    -3.1545    -0.8602	H	1	noname	0.0459
24	H7    -1.2088    -0.4667     4.1783	H	1	noname	0.0231
25	H8    -1.9023    -0.1763     2.5649	H	1	noname	0.0231
26	H9    -0.2828     0.4461     2.9628	H	1	noname	0.0231
27	H10     3.9859    -3.7201    -0.6069	H	1	noname	0.0246
28	H11     2.9869    -4.6472     0.5381	H	1	noname	0.0246
29	H12     3.9182    -3.2406     1.1059	H	1	noname	0.0246
30	H13     3.3003    -1.4137    -1.2798	H	1	noname	0.0246
31	H14     1.8129    -0.6976    -0.6143	H	1	noname	0.0246
32	H15     3.2326    -0.9341     0.4330	H	1	noname	0.0246
33	H16    -1.9280    -1.0470    -2.0506	H	1	noname	0.0654
34	H17    -3.0698    -2.2776     1.8449	H	1	noname	0.0627
35	H18    -1.9311    -4.1849    -0.1840	H	1	noname	0.2109
36	H19    -4.7038    -0.5160     1.9116	H	1	noname	0.0651
37	H20    -3.3274     0.2230    -3.1321	H	1	noname	0.2183
38	H21    -5.6605     1.2471    -1.0388	H	1	noname	0.2183
@<TRIPOS>BOND
1	6	1	1
2	1	35	1
3	2	15	1
4	2	37	1
5	3	17	1
6	3	38	1
7	5	4	1
8	4	8	1
9	4	22	1
10	5	6	1
11	5	7	1
12	5	18	1
13	6	9	1
14	6	19	1
15	7	10	1
16	7	20	1
17	7	21	1
18	8	11	1
19	8	12	1
20	8	23	1
21	9	13	2
22	9	14	1
23	10	24	1
24	10	25	1
25	10	26	1
26	11	27	1
27	11	28	1
28	11	29	1
29	12	30	1
30	12	31	1
31	12	32	1
32	13	15	1
33	13	33	1
34	14	16	2
35	14	34	1
36	15	17	2
37	16	17	1
38	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1