@<TRIPOS>MOLECULE
71750427
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.9199     0.3331    -0.1173	O.2	1	noname	-0.2974
2	O2     4.6974     2.4979    -0.2056	O.3	1	noname	-0.1891
3	O3     2.9293     3.8417    -0.5808	O.2	1	noname	-0.2306
4	N1     0.2657     0.9207    -0.1226	N.3	1	noname	0.0091
5	N2     0.6549     3.0715    -0.5675	N.2	1	noname	-0.2036
6	N3     2.5175     1.6777    -0.1556	N.3	1	noname	-0.0819
7	C1    -0.9140     1.5023    -0.3379	C.2	1	noname	-0.0395
8	C2    -0.6723     2.8413    -0.5912	C.2	1	noname	0.0227
9	C3    -3.3068     1.8444    -0.5884	C.2	1	noname	-0.0052
10	C4    -2.2187     0.9691    -0.3272	C.2	1	noname	0.0006
11	C5    -1.7216     3.7260    -0.8160	C.2	1	noname	0.0011
12	C6    -3.0318     3.2378    -0.7049	C.2	1	noname	-0.0081
13	C7    -4.6098     1.3205    -0.8169	C.2	1	noname	0.0601
14	C8     1.1979     1.8786    -0.2697	C.2	1	noname	0.0056
15	C9    -5.5473     1.7966    -1.8090	C.2	1	noname	-0.0265
16	C10    -6.8763     1.2844    -1.8469	C.2	1	noname	-0.0208
17	C11    -5.1715     2.7999    -2.7749	C.2	1	noname	-0.0208
18	C12    -7.4737     2.9109    -3.5742	C.2	1	noname	-0.0396
19	C13    -7.8506     1.8578    -2.7071	C.2	1	noname	-0.0532
20	C14    -6.1497     3.3847    -3.6132	C.2	1	noname	-0.0532
21	C15    -8.4183     3.5245    -4.5108	C.3	1	noname	0.0005
22	C16     3.3676     2.7003    -0.3205	C.2	1	noname	0.1373
23	C17     5.6043     3.2977    -0.9501	C.3	1	noname	0.0467
24	H1    -2.3444    -0.0373    -0.1809	H	1	noname	0.0650
25	H2     0.4129    -0.0145     0.1084	H	1	noname	0.1553
26	H3    -1.5395     4.7046    -1.0558	H	1	noname	0.0646
27	H4    -3.7996     3.9013    -0.8075	H	1	noname	0.0631
28	H5    -7.1791     0.5294    -1.2355	H	1	noname	0.0630
29	H6    -4.2165     3.1358    -2.9171	H	1	noname	0.0630
30	H7    -8.8111     1.5144    -2.6999	H	1	noname	0.0625
31	H8    -5.8961     4.1461    -4.2428	H	1	noname	0.0625
32	H9     2.8576     0.7920     0.0464	H	1	noname	0.1425
33	H10    -9.2524     3.9545    -3.9562	H	1	noname	0.0279
34	H11    -8.7919     2.7663    -5.1990	H	1	noname	0.0279
35	H12    -7.9135     4.3094    -5.0741	H	1	noname	0.0279
36	H13     6.6262     2.9902    -0.7284	H	1	noname	0.0536
37	H14     5.4098     3.1717    -2.0152	H	1	noname	0.0536
38	H15     5.4728     4.3450    -0.6781	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	13	2
2	2	22	1
3	2	23	1
4	3	22	2
5	4	7	1
6	4	14	1
7	4	25	1
8	5	8	1
9	5	14	2
10	6	14	1
11	6	22	1
12	6	32	1
13	7	8	2
14	7	10	1
15	8	11	1
16	9	10	2
17	9	12	1
18	9	13	1
19	10	24	1
20	11	12	2
21	11	26	1
22	12	27	1
23	13	15	1
24	15	16	2
25	15	17	1
26	16	19	1
27	16	28	1
28	17	20	2
29	17	29	1
30	18	19	2
31	18	20	1
32	18	21	1
33	19	30	1
34	20	31	1
35	21	33	1
36	21	34	1
37	21	35	1
38	23	36	1
39	23	37	1
40	23	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1