@<TRIPOS>MOLECULE
72941514
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.1453     4.5669    -0.4793	S	1	noname	-0.0433
2	O1     1.8564     5.6594    -1.3897	O.2	1	noname	-0.1910
3	O2     0.3353     5.2904     0.6820	O.2	1	noname	-0.1910
4	N1     0.3199    -3.3412     2.9478	N.3	1	noname	-0.3141
5	N2     2.3068     3.5566     0.1936	N.3	1	noname	0.0800
6	C1     0.9520    -2.1002     2.5032	C.3	1	noname	-0.0005
7	C2    -0.1058    -1.1801     1.8904	C.3	1	noname	0.0099
8	C3     1.3306    -4.2204     3.5334	C.3	1	noname	0.0011
9	C4     0.5254     0.0592     1.4465	C.2	1	noname	-0.0694
10	C5     0.6691    -5.5191     3.9986	C.3	1	noname	-0.0500
11	C6     1.9821    -3.5230     4.7293	C.3	1	noname	-0.0500
12	C7     1.0265     0.1597     0.1538	C.2	1	noname	-0.0604
13	C8     0.6253     1.1387     2.3164	C.2	1	noname	-0.0604
14	C9     1.7274     2.4191     0.6011	C.2	1	noname	-0.0302
15	C10     1.6275     1.3396    -0.2689	C.2	1	noname	-0.0471
16	C11     1.2263     2.3187     1.8937	C.2	1	noname	-0.0471
17	C12     0.0128     3.5933    -1.4841	C.3	1	noname	0.0605
18	H1     1.4161    -1.6033     3.3552	H	1	noname	0.0431
19	H2     1.7127    -2.3272     1.7563	H	1	noname	0.0431
20	H3    -0.8666    -0.9531     2.6373	H	1	noname	0.0329
21	H4    -0.5699    -1.6769     1.0385	H	1	noname	0.0329
22	H5     2.0914    -4.4474     2.7865	H	1	noname	0.0459
23	H6    -0.1153    -3.8071     2.1490	H	1	noname	0.1224
24	H7     1.4227    -6.1746     4.4352	H	1	noname	0.0246
25	H8     2.7357    -4.1784     5.1658	H	1	noname	0.0246
26	H9     2.4534    -2.5977     4.3978	H	1	noname	0.0246
27	H10     1.2213    -3.2960     5.4761	H	1	noname	0.0246
28	H11    -0.0916    -5.2921     4.7455	H	1	noname	0.0246
29	H12     0.2050    -6.0160     3.1467	H	1	noname	0.0246
30	H13     0.9532    -0.6325    -0.4846	H	1	noname	0.0626
31	H14     0.2576     1.0650     3.2650	H	1	noname	0.0626
32	H15     1.9952     1.4133    -1.2174	H	1	noname	0.0639
33	H16     1.2996     3.1108     2.5321	H	1	noname	0.0639
34	H17     2.7198     3.9987     0.9518	H	1	noname	0.1502
35	H18    -1.0146     3.8467    -1.2226	H	1	noname	0.0440
36	H19     0.1836     2.5327    -1.2999	H	1	noname	0.0440
37	H20     0.1836     3.8111    -2.5384	H	1	noname	0.0440
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	5	1
4	1	17	1
5	4	6	1
6	4	8	1
7	4	23	1
8	5	14	1
9	5	34	1
10	6	7	1
11	6	18	1
12	6	19	1
13	7	9	1
14	7	20	1
15	7	21	1
16	8	10	1
17	8	11	1
18	8	22	1
19	9	12	2
20	9	13	1
21	10	24	1
22	10	28	1
23	10	29	1
24	11	25	1
25	11	26	1
26	11	27	1
27	12	15	1
28	12	30	1
29	13	16	2
30	13	31	1
31	14	15	2
32	14	16	1
33	15	32	1
34	16	33	1
35	17	35	1
36	17	36	1
37	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1