@<TRIPOS>MOLECULE
76970504
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8804     1.3511    -3.8074	O.3	1	noname	-0.2168
2	O2    -2.1358     1.7487    -5.8955	O.2	1	noname	-0.2533
3	O3     3.2785     6.2064     2.3322	O.3	1	noname	-0.2183
4	O4     3.1077     4.0033     1.8967	O.2	1	noname	-0.2586
5	N1     1.8235     3.4935    -0.2436	N.3	1	noname	-0.0167
6	C1    -0.5603     0.6683    -4.4236	C.3	1	noname	0.0671
7	C2     0.0634     1.4075    -3.3299	C.2	1	noname	-0.0730
8	C3     1.2510     2.8150    -1.2474	C.2	1	noname	-0.0316
9	C4     0.8895     2.4909    -3.6055	C.2	1	noname	-0.0553
10	C5    -0.1689     1.0278    -2.0131	C.2	1	noname	-0.0553
11	C6     0.2996     0.7252    -5.6022	C.3	1	noname	-0.0490
12	C7     1.4833     3.1947    -2.5643	C.2	1	noname	-0.0579
13	C8     0.4250     1.7316    -0.9719	C.2	1	noname	-0.0579
14	C9     1.0161     4.4926     0.1378	C.2	1	noname	0.0196
15	C10    -1.9179     1.2927    -4.7522	C.2	1	noname	0.1386
16	C11     1.3993     5.3399     1.1709	C.2	1	noname	-0.0087
17	C12    -0.2045     4.6817    -0.4997	C.2	1	noname	-0.0439
18	C13     0.5618     6.3764     1.5665	C.2	1	noname	-0.0087
19	C14    -1.0420     5.7181    -0.1041	C.2	1	noname	-0.0373
20	C15    -0.6589     6.5655     0.9290	C.2	1	noname	-0.0680
21	C16     2.6199     5.1508     1.8084	C.2	1	noname	0.0853
22	H1    -0.7008    -0.3709    -4.1262	H	1	noname	0.0456
23	H2     1.0599     2.7695    -4.5718	H	1	noname	0.0626
24	H3    -0.7750     0.2328    -1.8109	H	1	noname	0.0626
25	H4    -0.1661     0.1733    -6.4187	H	1	noname	0.0242
26	H5     0.4400     1.7644    -5.8996	H	1	noname	0.0242
27	H6     1.2668     0.2804    -5.3681	H	1	noname	0.0242
28	H7     2.0895     3.9897    -2.7665	H	1	noname	0.0639
29	H8     0.2545     1.4530    -0.0056	H	1	noname	0.0639
30	H9     2.6710     3.8587    -0.5422	H	1	noname	0.1342
31	H10    -0.4857     4.0599    -1.2579	H	1	noname	0.0639
32	H11     0.8429     6.9981     2.3246	H	1	noname	0.0631
33	H12    -1.9377     5.8569    -0.5719	H	1	noname	0.0623
34	H13    -1.2734     7.3260     1.2193	H	1	noname	0.0622
35	H14    -3.5358     2.0796    -3.8200	H	1	noname	0.2213
36	H15     3.8542     6.0850     3.1159	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	15	1
2	1	35	1
3	2	15	2
4	3	21	1
5	3	36	1
6	4	21	2
7	5	8	1
8	5	14	1
9	5	30	1
10	6	7	1
11	6	11	1
12	6	15	1
13	6	22	1
14	7	9	2
15	7	10	1
16	8	12	2
17	8	13	1
18	9	12	1
19	9	23	1
20	10	13	2
21	10	24	1
22	11	25	1
23	11	26	1
24	11	27	1
25	12	28	1
26	13	29	1
27	14	16	1
28	14	17	2
29	16	18	2
30	16	21	1
31	17	19	1
32	17	31	1
33	18	20	1
34	18	32	1
35	19	20	2
36	19	33	1
37	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1