@<TRIPOS>MOLECULE
56649692
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2659    -1.9995    -5.2556	S.3	1	noname	-0.2228
2	O1     6.3595    -2.7062    -3.9357	O.3	1	noname	-0.2723
3	O2     4.5768    -0.9878    -4.3191	O.3	1	noname	-0.2858
4	O3     7.6069    -5.2705    -6.9050	O.3	1	noname	-0.2183
5	O4     2.1088    -1.3761    -3.3772	O.2	1	noname	-0.2952
6	O5     8.2350    -3.5592    -5.5823	O.2	1	noname	-0.2551
7	N1     2.9693    -3.2404    -2.1548	N.3	1	noname	-0.0782
8	C1     5.2099    -3.5822    -1.4772	C.3	1	noname	-0.0366
9	C2     5.9582    -4.6532    -2.3023	C.3	1	noname	-0.0267
10	C3     4.3019    -2.6276    -2.3023	C.3	1	noname	0.0500
11	C4     6.7098    -4.0518    -3.5099	C.3	1	noname	0.0528
12	C5     6.6078    -5.0065    -4.7011	C.3	1	noname	0.0583
13	C6     1.9295    -2.4820    -2.8229	C.2	1	noname	0.0399
14	C7     7.5252    -4.5742    -5.7513	C.2	1	noname	0.1360
15	C8     0.5972    -3.2028    -2.7629	C.3	1	noname	0.0558
16	C9    -0.3141    -2.3635    -3.5291	C.2	1	noname	0.0182
17	C10    -1.4125    -1.6493    -3.0426	C.2	1	noname	-0.0219
18	C11    -2.1112    -0.9014    -4.0169	C.2	1	noname	-0.0267
19	C12    -1.6666    -0.9287    -5.3492	C.2	1	noname	0.0103
20	B1     4.8485    -2.4240    -3.8668	B	1	noname	0.1959
21	H1     4.6168    -4.0688    -0.7029	H	1	noname	0.0278
22	H2     5.9837    -2.9507    -1.0405	H	1	noname	0.0278
23	H3     5.2490    -5.4031    -2.6526	H	1	noname	0.0293
24	H4     6.6505    -5.2030    -1.6647	H	1	noname	0.0293
25	H5     4.3076    -1.6456    -1.8230	H	1	noname	0.0435
26	H6     7.7661    -3.9935    -3.2473	H	1	noname	0.0592
27	H7     5.5876    -5.0009    -5.0848	H	1	noname	0.0399
28	H8     6.8703    -6.0151    -4.3818	H	1	noname	0.0399
29	H9     2.8058    -4.0612    -1.6644	H	1	noname	0.1306
30	H10     0.2590    -3.2558    -1.7280	H	1	noname	0.0419
31	H11     0.7566    -4.1986    -3.1765	H	1	noname	0.0419
32	H12     4.8893    -0.8709    -5.2405	H	1	noname	0.1898
33	H13    -1.6882    -1.6665    -2.0607	H	1	noname	0.0634
34	H14     7.8383    -4.8112    -7.7392	H	1	noname	0.2213
35	H15    -2.9279    -0.3489    -3.7561	H	1	noname	0.0631
36	H16    -2.0542    -0.4515    -6.1631	H	1	noname	0.0739
@<TRIPOS>BOND
1	1	16	1
2	1	19	1
3	2	11	1
4	2	20	1
5	3	20	1
6	3	32	1
7	4	14	1
8	4	34	1
9	5	13	2
10	6	14	2
11	10	7	1
12	7	13	1
13	7	29	1
14	8	9	1
15	8	10	1
16	8	21	1
17	8	22	1
18	9	11	1
19	9	23	1
20	9	24	1
21	10	20	1
22	10	25	1
23	11	12	1
24	11	26	1
25	12	14	1
26	12	27	1
27	12	28	1
28	13	15	1
29	15	16	1
30	15	30	1
31	15	31	1
32	16	17	2
33	17	18	1
34	17	33	1
35	18	19	2
36	18	35	1
37	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1