@<TRIPOS>MOLECULE
85575702
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2926     2.6293    -2.2172	O.2	1	noname	-0.2884
2	O2     3.5680    -0.6997    -0.7233	O.2	1	noname	-0.2899
3	N1     0.3708     1.0030    -0.5429	N.3	1	noname	-0.0560
4	N2     3.0365     1.6926    -0.8820	N.3	1	noname	-0.0663
5	C1     1.4003     0.1871     0.1597	C.3	1	noname	0.0907
6	C2     0.7300    -1.2001     0.2625	C.3	1	noname	-0.0274
7	C3    -0.9571     0.3963    -0.5173	C.3	1	noname	0.0067
8	C4    -0.7881    -0.9314     0.2297	C.3	1	noname	-0.0379
9	C5     2.1221     2.1120    -1.9710	C.3	1	noname	0.0880
10	C6     0.6103     1.9867    -1.6389	C.2	1	noname	0.0541
11	C7     2.4378     3.5536    -2.3751	C.3	1	noname	-0.0286
12	C8     2.7928     0.2592    -0.5182	C.2	1	noname	0.0494
13	C9     3.8854     3.6413    -2.8625	C.3	1	noname	-0.0490
14	C10     4.2010     5.0828    -3.2665	C.3	1	noname	-0.0470
15	C11     5.6487     5.1705    -3.7539	C.3	1	noname	-0.0628
16	C12     4.0126     6.0037    -2.0593	C.3	1	noname	-0.0628
17	H1     1.5432     0.5877     1.1631	H	1	noname	0.0568
18	H2     1.0108    -1.8041    -0.6003	H	1	noname	0.0288
19	H3     1.0378    -1.7474     1.1534	H	1	noname	0.0288
20	H4    -1.6403     1.0403     0.0364	H	1	noname	0.0436
21	H5    -1.3151     0.2926    -1.5416	H	1	noname	0.0436
22	H6     2.2909     1.4791    -2.8422	H	1	noname	0.0566
23	H7    -1.2858    -1.7265    -0.3254	H	1	noname	0.0280
24	H8    -1.1484    -0.8111     1.2513	H	1	noname	0.0280
25	H9     1.7655     3.8620    -3.1757	H	1	noname	0.0288
26	H10     2.3035     4.2097    -1.5151	H	1	noname	0.0288
27	H11     3.6988     2.2649    -0.4640	H	1	noname	0.1318
28	H12     4.0196     2.9852    -3.7225	H	1	noname	0.0270
29	H13     4.5577     3.3329    -2.0618	H	1	noname	0.0270
30	H14     3.5288     5.3912    -4.0672	H	1	noname	0.0297
31	H15     4.2375     7.0307    -2.3472	H	1	noname	0.0233
32	H16     2.9813     5.9413    -1.7121	H	1	noname	0.0233
33	H17     4.6849     5.6954    -1.2587	H	1	noname	0.0233
34	H18     5.8735     6.1975    -4.0418	H	1	noname	0.0233
35	H19     5.7829     4.5145    -4.6139	H	1	noname	0.0233
36	H20     6.3209     4.8621    -2.9532	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	10	2
2	2	12	2
3	3	5	1
4	3	7	1
5	3	10	1
6	4	9	1
7	4	12	1
8	4	27	1
9	5	6	1
10	5	12	1
11	5	17	1
12	6	8	1
13	6	18	1
14	6	19	1
15	7	8	1
16	7	20	1
17	7	21	1
18	8	23	1
19	8	24	1
20	9	10	1
21	9	11	1
22	9	22	1
23	11	13	1
24	11	25	1
25	11	26	1
26	13	14	1
27	13	28	1
28	13	29	1
29	14	15	1
30	14	16	1
31	14	30	1
32	15	34	1
33	15	35	1
34	15	36	1
35	16	31	1
36	16	32	1
37	16	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1