@<TRIPOS>MOLECULE
72376230
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.5121     3.3988     5.6586	S	1	noname	-0.0980
2	O1     4.5986     4.2053     6.4934	O.2	1	noname	-0.1953
3	O2     2.8067     2.3293     6.6003	O.2	1	noname	-0.1953
4	O3     3.5375     5.5562    -1.0959	O.2	1	noname	-0.2863
5	O4     5.2996     4.5155    -2.8218	O.3	1	noname	-0.3094
6	N1     2.3597     4.4654     5.0613	N.3	1	noname	0.0780
7	N2     5.4263     4.4264    -1.5311	N.3	1	noname	0.0136
8	C1     4.2839     2.5864     4.3405	C.2	1	noname	0.0227
9	C2     4.4154     3.2239     3.1124	C.2	1	noname	0.0236
10	C3     5.0355     2.5712     2.0534	C.2	1	noname	-0.0187
11	C4     4.7726     1.2962     4.5097	C.2	1	noname	0.0131
12	C5     2.1012     5.4048     5.9813	C.2	1	noname	-0.0242
13	C6     5.5242     1.2810     2.2226	C.2	1	noname	-0.0189
14	C7     5.3928     0.6435     3.4507	C.2	1	noname	-0.0328
15	C8     1.1734     6.4043     5.7124	C.2	1	noname	-0.0463
16	C9     2.7607     5.3796     7.2046	C.2	1	noname	-0.0463
17	C10     5.1641     3.1949     0.8517	C.2	1	noname	-0.0130
18	C11     0.9052     7.3786     6.6667	C.2	1	noname	-0.0598
19	C12     2.4926     6.3540     8.1590	C.2	1	noname	-0.0598
20	C13     1.5648     7.3535     7.8900	C.2	1	noname	-0.0746
21	C14     4.2593     4.0906     0.4672	C.2	1	noname	0.0385
22	C15     4.3879     4.7143    -0.7345	C.2	1	noname	0.0523
23	C16     4.8607     3.2691    -3.3416	C.3	1	noname	0.0578
24	H1     4.0567     4.1707     2.9882	H	1	noname	0.0645
25	H2     1.5451     3.9802     4.8569	H	1	noname	0.1506
26	H3     4.6762     0.8284     5.4110	H	1	noname	0.0639
27	H4     5.9793     0.8020     1.4455	H	1	noname	0.0628
28	H5     5.7514    -0.3033     3.5749	H	1	noname	0.0623
29	H6     0.6894     6.4227     4.8147	H	1	noname	0.0639
30	H7     3.4416     4.6462     7.4020	H	1	noname	0.0639
31	H8     5.9313     2.9822     0.2632	H	1	noname	0.0630
32	H9     0.2244     8.1121     6.4694	H	1	noname	0.0623
33	H10     2.9766     6.3356     9.0566	H	1	noname	0.0623
34	H11     1.3680     8.0685     8.5903	H	1	noname	0.0622
35	H12     3.4922     4.3033     1.0557	H	1	noname	0.0675
36	H13     6.2724     4.1515    -1.1446	H	1	noname	0.1647
37	H14     4.7545     3.3438    -4.4238	H	1	noname	0.0551
38	H15     3.8989     3.0094    -2.8992	H	1	noname	0.0551
39	H16     5.5917     2.4973    -3.1007	H	1	noname	0.0551
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	6	1
4	1	8	1
5	4	22	2
6	5	7	1
7	5	23	1
8	6	12	1
9	6	25	1
10	7	22	1
11	7	36	1
12	8	9	1
13	8	11	2
14	9	10	2
15	9	24	1
16	10	13	1
17	10	17	1
18	11	14	1
19	11	26	1
20	12	15	2
21	12	16	1
22	13	14	2
23	13	27	1
24	14	28	1
25	15	18	1
26	15	29	1
27	16	19	2
28	16	30	1
29	17	21	2
30	17	31	1
31	18	20	2
32	18	32	1
33	19	20	1
34	19	33	1
35	20	34	1
36	21	22	1
37	21	35	1
38	23	37	1
39	23	38	1
40	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1