@<TRIPOS>MOLECULE
DB07050
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.3496    -1.7211     0.7719	S	1	noname	-0.0844
2	O1    -0.9143    -2.7718    -0.2932	O.2	1	noname	-0.1933
3	O2     1.1166    -1.2227     0.3093	O.2	1	noname	-0.1933
4	N1    -1.4421    -0.3981     0.7885	N.3	1	noname	0.1394
5	C1    -0.3224    -2.4392     2.3899	C.2	1	noname	0.0196
6	C2    -1.6200     0.3444    -0.3119	C.2	1	noname	0.1737
7	C3    -1.4643    -2.2796     3.2564	C.2	1	noname	0.0134
8	C4     0.8387    -3.1807     2.7937	C.2	1	noname	0.0134
9	S2    -2.7542     1.6436    -0.6303	S.3	1	noname	-0.0618
10	N2    -0.9583     0.2884    -1.4834	N.2	1	noname	-0.1187
11	C5    -1.4406    -2.8847     4.5507	C.2	1	noname	-0.0360
12	C6     0.8539    -3.7841     4.0887	C.2	1	noname	-0.0360
13	C7    -2.2407     2.0693    -2.2653	C.2	1	noname	0.1612
14	N3    -1.2678     1.1412    -2.4497	N.2	1	noname	-0.0869
15	C8    -0.2844    -3.6301     4.9441	C.2	1	noname	-0.0292
16	S3    -2.8125     3.3108    -3.3257	S	1	noname	-0.0660
17	O3    -1.6449     3.7421    -4.3150	O.2	1	noname	-0.1835
18	O4    -3.2733     4.5686    -2.4692	O.2	1	noname	-0.1835
19	N4    -4.1550     2.7136    -4.2427	N.3	1	noname	0.0033
20	H1    -2.0357    -0.0212     1.5136	H	1	noname	0.1531
21	H2    -2.3356    -1.7081     2.9367	H	1	noname	0.0639
22	H3     1.6954    -3.2839     2.1277	H	1	noname	0.0639
23	H4    -2.2897    -2.7796     5.2261	H	1	noname	0.0623
24	H5     1.7220    -4.3542     4.4195	H	1	noname	0.0623
25	H6    -0.2703    -4.0965     5.9292	H	1	noname	0.0622
26	H7    -4.9020     3.3387    -4.5101	H	1	noname	0.1404
27	H8    -4.1910     1.7403    -4.5101	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	1
14	11	15	2
15	12	15	1
16	13	16	1
17	13	14	2
18	16	17	2
19	16	18	2
20	16	19	1
21	4	20	1
22	7	21	1
23	8	22	1
24	11	23	1
25	12	24	1
26	15	25	1
27	19	26	1
28	19	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1