@<TRIPOS>MOLECULE
71587159
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.1698     1.5566     3.0476	O.3	1	noname	-0.2148
2	O2     4.1918     2.4870    -2.2672	O.3	1	noname	-0.2148
3	O3     1.3446    -3.1250    -1.8451	O.3	1	noname	-0.2148
4	O4    -3.8100     3.8819    -2.7802	O.3	1	noname	-0.2148
5	O5    -3.4751     4.1832    -0.5735	O.2	1	noname	-0.2507
6	O6     2.7099     2.6170    -0.5762	O.2	1	noname	-0.2507
7	O7    -1.0998     1.9810     2.2682	O.2	1	noname	-0.2507
8	O8     2.8925    -1.6519    -1.1335	O.2	1	noname	-0.2507
9	N1     1.3863     0.4540    -1.0998	N.3	1	noname	-0.2832
10	N2    -1.7216     2.3105    -0.2236	N.3	1	noname	-0.2832
11	C1     0.4122     1.5437    -1.1339	C.3	1	noname	0.0122
12	C2    -0.7475     1.2208    -0.1895	C.3	1	noname	0.0122
13	C3    -2.8297     2.0020     0.6788	C.3	1	noname	0.0854
14	C4     2.4944     0.7625    -2.0023	C.3	1	noname	0.0854
15	C5     0.7431    -0.7882    -1.5248	C.3	1	noname	0.0854
16	C6    -2.2309     2.4664    -1.5852	C.3	1	noname	0.0854
17	C7    -2.3211     1.8462     2.0385	C.2	1	noname	0.1422
18	C8     3.1368     2.0030    -1.5779	C.2	1	noname	0.1422
19	C9     1.7159    -1.8764    -1.4908	C.2	1	noname	0.1422
20	C10    -3.2037     3.5546    -1.6192	C.2	1	noname	0.1422
21	H1    -1.2270     0.2947    -0.5064	H	1	noname	0.0444
22	H2    -0.3678     1.1045     0.8256	H	1	noname	0.0444
23	H3     0.0325     1.6599    -2.1490	H	1	noname	0.0444
24	H4     0.8917     2.4698    -0.8171	H	1	noname	0.0444
25	H5    -0.0831    -1.0182    -0.8520	H	1	noname	0.0539
26	H6     0.3634    -0.6719    -2.5399	H	1	noname	0.0539
27	H7     2.1147     0.8788    -3.0174	H	1	noname	0.0539
28	H8     3.2207    -0.0499    -1.9768	H	1	noname	0.0539
29	H9    -3.5560     2.8144     0.6534	H	1	noname	0.0539
30	H10    -3.3093     1.0758     0.3619	H	1	noname	0.0539
31	H11    -2.7104     1.5403    -1.9020	H	1	noname	0.0539
32	H12    -1.4047     2.6964    -2.2580	H	1	noname	0.0539
33	H13    -2.8567     1.0375     3.8175	H	1	noname	0.2213
34	H14     4.3528     3.4530    -2.3021	H	1	noname	0.2213
35	H15     1.9985    -3.7357    -2.2450	H	1	noname	0.2213
36	H16    -4.7162     4.2547    -2.7716	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	17	1
2	1	33	1
3	2	18	1
4	2	34	1
5	3	19	1
6	3	35	1
7	4	20	1
8	4	36	1
9	5	20	2
10	6	18	2
11	7	17	2
12	8	19	2
13	9	11	1
14	9	14	1
15	9	15	1
16	10	12	1
17	10	13	1
18	10	16	1
19	11	12	1
20	11	23	1
21	11	24	1
22	12	21	1
23	12	22	1
24	13	17	1
25	13	29	1
26	13	30	1
27	14	18	1
28	14	27	1
29	14	28	1
30	15	19	1
31	15	25	1
32	15	26	1
33	16	20	1
34	16	31	1
35	16	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1