@<TRIPOS>MOLECULE
71587279
19 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.7772    -1.1896    -0.2842	S	1	noname	-0.0613
2	S2    -0.0572    -0.0550     0.6377	S.3	1	noname	-0.0320
3	O1     3.9043    -0.6687    -1.2774	O.2	1	noname	-0.1831
4	O2     3.3861    -1.3388     1.1770	O.2	1	noname	-0.1831
5	O3    -1.4718     3.7153    -0.9676	O.3	1	noname	-0.2615
6	N1     1.2807     1.1187    -0.8993	N.2	1	noname	-0.0772
7	N2     0.1851     1.8422    -0.7266	N.2	1	noname	-0.0935
8	N3    -1.9560     2.0101     0.4140	N.2	1	noname	-0.1325
9	N4     2.1954    -2.7280    -0.8271	N.3	1	noname	0.0036
10	C1     1.4695    -0.0575    -0.2513	C.2	1	noname	0.1828
11	C2    -0.8157     1.4547     0.1069	C.2	1	noname	0.1928
12	C3    -2.2848     3.1240    -0.1122	C.2	1	noname	0.0493
13	C4    -3.5343     3.7326     0.2243	C.3	1	noname	0.0003
14	H1     1.1760    -2.7505    -0.7578	H	1	noname	0.1404
15	H2    -4.1373     3.8463    -0.6765	H	1	noname	0.0317
16	H3    -4.0642     3.1031     0.9392	H	1	noname	0.0317
17	H4    -3.3537     4.7122     0.6668	H	1	noname	0.0317
18	H5    -1.9967     4.2371    -1.6099	H	1	noname	0.2195
19	H6     2.4741    -2.8738    -1.7995	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	3	2
2	1	4	2
3	1	9	1
4	1	10	1
5	2	10	1
6	2	11	1
7	5	12	1
8	5	18	1
9	6	7	1
10	6	10	2
11	7	11	2
12	8	11	1
13	8	12	2
14	9	14	1
15	9	19	1
16	12	13	1
17	13	15	1
18	13	16	1
19	13	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1