@<TRIPOS>MOLECULE
71448990
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9621     3.3173     0.7671	S.3	1	noname	-0.1445
2	O1     3.7967     0.9097    -0.1861	O.2	1	noname	-0.2929
3	O2    -0.9953     4.8625    -1.9486	O.3	1	noname	-0.2147
4	O3     0.7626     3.6950    -2.6458	O.2	1	noname	-0.2506
5	N1     1.7735     1.6537    -0.9287	N.3	1	noname	-0.0683
6	N2     1.8507     0.7267     1.0550	N.3	1	noname	-0.0688
7	C1     0.4048     1.4847    -0.6231	C.3	1	noname	0.0532
8	C2     0.4716     1.0288     0.8668	C.3	1	noname	0.0418
9	C3    -0.5858     2.6642    -0.9053	C.3	1	noname	0.1078
10	C4    -0.0724     2.1189     1.8213	C.3	1	noname	0.0117
11	C5     2.5694     1.0859    -0.0248	C.2	1	noname	-0.0373
12	C6    -0.2027     3.7538    -1.8548	C.2	1	noname	0.1424
13	H1     0.0600     0.6376    -1.2075	H	1	noname	0.0503
14	H2    -0.0843     0.1022     1.0251	H	1	noname	0.0495
15	H3    -1.5165     2.2354    -1.3051	H	1	noname	0.0541
16	H4    -0.7699     1.6683     2.5275	H	1	noname	0.0397
17	H5     0.7697     2.6241     2.2943	H	1	noname	0.0397
18	H6     2.0850     2.0911    -1.7274	H	1	noname	0.1328
19	H7     2.2214     0.3179     1.8527	H	1	noname	0.1327
20	H8    -0.6121     5.7153    -2.2423	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	10	1
3	2	11	2
4	3	12	1
5	3	20	1
6	4	12	2
7	5	7	1
8	5	11	1
9	5	18	1
10	6	8	1
11	6	11	1
12	6	19	1
13	7	8	1
14	7	9	1
15	7	13	1
16	8	10	1
17	8	14	1
18	9	12	1
19	9	15	1
20	10	16	1
21	10	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1