@<TRIPOS>MOLECULE
DB02940
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9591    -0.5907    -0.8833	S.3	1	noname	-0.0766
2	C1     0.5084     0.3495    -0.9348	C.2	1	noname	0.0132
3	C2     1.9602    -1.0901     0.8784	C.3	1	noname	0.0317
4	N1     0.0169     0.3228     0.2459	N.2	1	noname	-0.2351
5	C3     0.0033     0.9767    -1.9933	C.2	1	noname	-0.0806
6	C4     0.6447    -0.3793     1.2862	C.3	1	noname	0.1460
7	N2    -1.1114     1.6557    -1.8821	N.3	1	noname	-0.1577
8	C5     0.6301     0.9144    -3.1648	C.2	1	noname	-0.0464
9	C6     0.9073     0.5299     2.3979	C.2	1	noname	0.1482
10	C7     0.0870     1.5887    -4.3029	C.3	1	noname	-0.0450
11	O1     0.3137     0.3735     3.4868	O.2	1	noname	-0.2465
12	O2     1.7912     1.5395     2.2499	O.3	1	noname	-0.2116
13	H1     1.7919    -2.1615     0.9873	H	1	noname	0.0412
14	H2     2.7683    -0.6068     1.4274	H	1	noname	0.0412
15	H3    -0.1215    -1.1056     1.5574	H	1	noname	0.0670
16	H4    -1.0861     2.6645    -1.8393	H	1	noname	0.1243
17	H5    -1.9962     1.1704    -1.8393	H	1	noname	0.1243
18	H6     1.5522     0.3338    -3.1910	H	1	noname	0.0590
19	H7    -0.2596     0.8538    -5.0294	H	1	noname	0.0274
20	H8    -0.7498     2.2132    -3.9901	H	1	noname	0.0274
21	H9     0.8566     2.2132    -4.7566	H	1	noname	0.0274
22	H10     2.0660     1.8535     3.1145	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	6	1
7	5	7	1
8	5	8	2
9	6	9	1
10	8	10	1
11	9	11	2
12	9	12	1
13	3	13	1
14	3	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	8	18	1
19	10	19	1
20	10	20	1
21	10	21	1
22	12	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1