@<TRIPOS>MOLECULE
76956972
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7440    -0.9428    -1.5622	O.2	1	noname	-0.2896
2	O2    -1.2271    -2.1858    -1.1971	O.2	1	noname	-0.2975
3	N1     0.1277    -0.6981    -0.1679	N.3	1	noname	-0.0627
4	N2     3.4955     0.9895    -0.5839	N.3	1	noname	-0.0688
5	C1     1.4132    -0.1350     0.2526	C.3	1	noname	0.0908
6	C2     1.8567    -0.7204     1.6369	C.3	1	noname	-0.0314
7	C3     2.5756    -0.0664    -0.6856	C.2	1	noname	0.0491
8	C4    -1.0787     0.0725     0.2109	C.3	1	noname	0.0041
9	C5     0.8731    -0.2647     2.7366	C.3	1	noname	-0.0634
10	C6    -0.0693    -1.9153    -0.8240	C.2	1	noname	0.0181
11	C7    -1.4762     1.0916    -0.8482	C.3	1	noname	-0.0519
12	C8     4.1718     1.4078    -1.7725	C.3	1	noname	-0.0060
13	C9     3.7929     1.7292     0.6260	C.3	1	noname	-0.0060
14	C10     0.8888    -2.9004    -1.0812	C.2	1	noname	0.0157
15	C11     0.7837    -3.7323    -2.1503	C.2	1	noname	-0.0422
16	C12     1.7279    -4.7686    -2.4518	C.3	1	noname	-0.0465
17	H1     1.1703     0.9320     0.3548	H	1	noname	0.0568
18	H2     1.8762    -1.8079     1.5475	H	1	noname	0.0285
19	H3     2.8636    -0.4194     1.9662	H	1	noname	0.0285
20	H4    -1.9113    -0.5880     0.4562	H	1	noname	0.0433
21	H5    -0.9595     0.6859     1.0977	H	1	noname	0.0433
22	H6     1.2011    -0.6015     3.7102	H	1	noname	0.0231
23	H7    -0.0874    -0.7473     2.5593	H	1	noname	0.0231
24	H8     0.7632     0.8349     2.7478	H	1	noname	0.0231
25	H9    -2.3615     1.6355    -0.5082	H	1	noname	0.0243
26	H10    -1.6928     0.5656    -1.7714	H	1	noname	0.0243
27	H11    -0.6600     1.8015    -1.0007	H	1	noname	0.0243
28	H12     3.4269     1.7024    -2.5273	H	1	noname	0.0399
29	H13     4.7720     0.5778    -2.1542	H	1	noname	0.0399
30	H14     4.8373     2.2669    -1.6282	H	1	noname	0.0399
31	H15     3.0371     1.6647     1.4082	H	1	noname	0.0399
32	H16     3.9704     2.7756     0.3777	H	1	noname	0.0399
33	H17     4.7580     1.3830     0.9960	H	1	noname	0.0399
34	H18     1.6583    -2.9759    -0.4618	H	1	noname	0.0671
35	H19     0.0235    -3.6412    -2.7753	H	1	noname	0.0574
36	H20     1.2210    -5.7336    -2.4507	H	1	noname	0.0273
37	H21     2.1637    -4.5884    -3.4345	H	1	noname	0.0273
38	H22     2.5166    -4.7717    -1.6995	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	7	2
2	2	10	2
3	5	3	1
4	3	8	1
5	3	10	1
6	4	7	1
7	4	12	1
8	4	13	1
9	5	6	1
10	5	7	1
11	5	17	1
12	6	9	1
13	6	18	1
14	6	19	1
15	8	11	1
16	8	20	1
17	8	21	1
18	9	22	1
19	9	23	1
20	9	24	1
21	10	14	1
22	11	25	1
23	11	26	1
24	11	27	1
25	12	28	1
26	12	29	1
27	12	30	1
28	13	31	1
29	13	32	1
30	13	33	1
31	14	15	2
32	14	34	1
33	15	16	1
34	15	35	1
35	16	36	1
36	16	37	1
37	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1