@<TRIPOS>MOLECULE
76963689
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5190    -2.1797    -0.0333	O.3	1	noname	-0.2794
2	O2    -3.5769     0.0940    -0.3211	O.3	1	noname	-0.2794
3	N1    -0.6143    -6.0612    -0.6754	N.3	1	noname	-0.3301
4	C1     0.1287    -0.2429    -0.3990	C.2	1	noname	-0.0242
5	C2     1.3495     0.5784    -0.6168	C.3	1	noname	0.0189
6	C3     1.1433     2.1223    -0.5971	C.3	1	noname	-0.0488
7	C4    -0.1853     2.5944    -1.2519	C.3	1	noname	-0.0488
8	C5    -1.4401     1.7648    -0.8536	C.3	1	noname	0.0175
9	C6    -1.1909     0.3430    -0.5041	C.2	1	noname	-0.0311
10	C7     0.2887    -1.6297    -0.1130	C.2	1	noname	-0.0249
11	C8    -2.3450    -0.4556    -0.2693	C.2	1	noname	-0.0214
12	C9    -0.8839    -2.4276     0.0882	C.2	1	noname	-0.0279
13	C10    -2.1862    -1.8431     0.0212	C.2	1	noname	-0.0356
14	C11    -0.7468    -3.8545     0.3650	C.3	1	noname	0.0249
15	C12    -0.7515    -4.6323    -0.9525	C.3	1	noname	-0.0035
16	C13     1.9883    -2.0981     1.3044	C.3	1	noname	0.0423
17	C14    -3.9381     0.5685     0.9677	C.3	1	noname	0.0423
18	H1     1.8210     0.2867    -1.5553	H	1	noname	0.0317
19	H2     2.1091     0.2860     0.1083	H	1	noname	0.0317
20	H3     1.1897     2.4819     0.4309	H	1	noname	0.0270
21	H4     1.9858     2.6095    -1.0880	H	1	noname	0.0270
22	H5    -0.3540     3.6449    -1.0148	H	1	noname	0.0270
23	H6    -0.0582     2.4473    -2.3244	H	1	noname	0.0270
24	H7    -2.1796     1.8183    -1.6526	H	1	noname	0.0317
25	H8    -1.9216     2.2043     0.0199	H	1	noname	0.0317
26	H9    -3.0095    -2.4232     0.1826	H	1	noname	0.0654
27	H10    -1.5794    -4.1859     0.9855	H	1	noname	0.0330
28	H11     0.1915    -4.0344     0.8897	H	1	noname	0.0330
29	H12    -1.6898    -4.4525    -1.4773	H	1	noname	0.0429
30	H13     0.0811    -4.3009    -1.5731	H	1	noname	0.0429
31	H14     2.9816    -2.5422     1.3688	H	1	noname	0.0535
32	H15     1.3062    -2.6366     1.9623	H	1	noname	0.0535
33	H16     2.0373    -1.0526     1.6091	H	1	noname	0.0535
34	H17    -4.9328     1.0122     0.9259	H	1	noname	0.0535
35	H18    -3.9402    -0.2623     1.6733	H	1	noname	0.0535
36	H19    -3.2184     1.3197     1.2931	H	1	noname	0.0535
37	H20    -0.6174    -6.5808    -1.5555	H	1	noname	0.1184
38	H21    -1.3949    -6.3719    -0.0936	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	10	1
2	1	16	1
3	2	11	1
4	2	17	1
5	3	15	1
6	3	37	1
7	3	38	1
8	4	5	1
9	4	9	1
10	4	10	2
11	5	6	1
12	5	18	1
13	5	19	1
14	6	7	1
15	6	20	1
16	6	21	1
17	7	8	1
18	7	22	1
19	7	23	1
20	8	9	1
21	8	24	1
22	8	25	1
23	9	11	2
24	10	12	1
25	11	13	1
26	12	13	2
27	12	14	1
28	13	26	1
29	14	15	1
30	14	27	1
31	14	28	1
32	15	29	1
33	15	30	1
34	16	31	1
35	16	32	1
36	16	33	1
37	17	34	1
38	17	35	1
39	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1