@<TRIPOS>MOLECULE
73386748
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.8968     2.9596     0.2642	S	1	noname	0.0386
2	O1    -1.4324     2.4445    -1.2770	O.3	1	noname	-0.0953
3	O2    -1.9675    -0.5110    -0.9105	O.2	1	noname	-0.2737
4	O3     2.0648    -2.7938    -2.4122	O.2	1	noname	-0.2759
5	O4     4.3946    -1.5419    -2.8258	O.3	1	noname	-0.3064
6	O5    -3.0925     1.9282     0.8663	O.3	1	noname	-0.1109
7	O6    -2.4685     4.4407     0.1781	O.2	1	noname	-0.1208
8	O7    -0.6368     2.9333     1.2337	O.2	1	noname	-0.1208
9	N1     0.4382    -0.6751    -1.2890	N.3	1	noname	-0.0385
10	N2    -0.5698     1.4779    -1.1693	N.3	1	noname	0.0997
11	N3     3.2559    -1.0952    -3.2659	N.3	1	noname	0.0223
12	N4     6.5504    -0.5248    -0.0142	N.3	1	noname	-0.3281
13	C1     0.9030     1.5941    -1.0923	C.3	1	noname	0.0602
14	C2     1.2972     0.2250    -0.4880	C.3	1	noname	0.0266
15	C3     1.5709     1.7292    -2.5048	C.3	1	noname	-0.0313
16	C4     0.9121    -0.7718    -2.7317	C.3	1	noname	0.0941
17	C5     1.1743     0.5833    -3.4897	C.3	1	noname	-0.0268
18	C6    -0.8528     0.0227    -1.0973	C.2	1	noname	0.0289
19	C7     2.1093    -1.6050    -2.7958	C.2	1	noname	0.0933
20	C8     4.7965    -0.7817    -1.6957	C.3	1	noname	0.0811
21	C9     6.1367    -1.3075    -1.1777	C.3	1	noname	0.0180
22	H1     1.2049     2.4195    -0.4435	H	1	noname	0.0512
23	H2     0.9889     0.1868     0.5568	H	1	noname	0.0453
24	H3     2.3644     0.0262    -0.5860	H	1	noname	0.0453
25	H4     1.3054     2.6919    -2.9416	H	1	noname	0.0285
26	H5     2.6482     1.7158    -2.3397	H	1	noname	0.0285
27	H6     0.1586    -1.3131    -3.3040	H	1	noname	0.0570
28	H7     0.2785     0.8710    -4.0401	H	1	noname	0.0288
29	H8     1.9434     0.4516    -4.2508	H	1	noname	0.0288
30	H9     3.2363    -0.3928    -3.9346	H	1	noname	0.1644
31	H10     4.0441    -0.8702    -0.9121	H	1	noname	0.0601
32	H11     4.9026     0.2650    -1.9810	H	1	noname	0.0601
33	H12    -3.0744     1.9439     1.8460	H	1	noname	0.2409
34	H13     6.0306    -2.3541    -0.8924	H	1	noname	0.0450
35	H14     6.8891    -1.2190    -1.9614	H	1	noname	0.0450
36	H15     7.4456    -0.8760     0.3318	H	1	noname	0.1185
37	H16     5.8449    -0.6077     0.7205	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	2	1
2	1	6	1
3	1	7	2
4	1	8	2
5	2	10	1
6	3	18	2
7	4	19	2
8	5	11	1
9	5	20	1
10	6	33	1
11	9	14	1
12	9	16	1
13	9	18	1
14	10	13	1
15	10	18	1
16	11	19	1
17	11	30	1
18	12	21	1
19	12	36	1
20	12	37	1
21	13	14	1
22	13	15	1
23	13	22	1
24	14	23	1
25	14	24	1
26	15	17	1
27	15	25	1
28	15	26	1
29	16	17	1
30	16	19	1
31	16	27	1
32	17	28	1
33	17	29	1
34	20	21	1
35	20	31	1
36	20	32	1
37	21	34	1
38	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1