@<TRIPOS>MOLECULE
DB02933
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.1718    -0.1628    -1.2251	S.3	1	noname	-0.1625
2	C1     4.4100     0.1557    -1.0394	C.3	1	noname	0.0222
3	C2     7.0057     1.3515    -1.7267	C.3	1	noname	-0.0183
4	C3     3.7012    -1.1315    -0.6131	C.3	1	noname	0.0977
5	O1     3.8979    -2.1215    -1.5925	O.3	1	noname	-0.3499
6	C4     2.1950    -0.8788    -0.5241	C.3	1	noname	0.1112
7	C5     2.8024    -2.9939    -1.3745	C.3	1	noname	0.1576
8	O2     1.7915    -0.8979     0.8373	O.3	1	noname	-0.3874
9	C6     1.5855    -2.0739    -1.2523	C.3	1	noname	0.1257
10	N1     2.7767    -4.0248    -2.3667	N.3	1	noname	0.0029
11	O3     0.6101    -2.6869    -0.4221	O.3	1	noname	-0.3857
12	C7     3.8010    -4.8831    -2.5928	C.2	1	noname	0.0883
13	C8     1.7853    -4.3172    -3.2643	C.2	1	noname	-0.0961
14	N2     5.0064    -5.0320    -1.9623	N.2	1	noname	-0.2547
15	C9     3.4249    -5.6745    -3.6906	C.2	1	noname	-0.0228
16	C10     2.1574    -5.3509    -4.1190	C.2	1	noname	-0.0243
17	C11     5.8950    -5.9726    -2.4262	C.2	1	noname	0.0469
18	C12     4.3433    -6.6279    -4.1687	C.2	1	noname	0.0401
19	N3     5.5367    -6.7299    -3.5148	N.2	1	noname	-0.2676
20	N4     4.0574    -7.4039    -5.2232	N.3	1	noname	-0.1131
21	H1     4.2497     0.8331    -0.2006	H	1	noname	0.0408
22	H2     3.9771     0.3827    -2.0136	H	1	noname	0.0408
23	H3     7.3121     1.9080    -0.8409	H	1	noname	0.0343
24	H4     7.8845     1.1024    -2.3214	H	1	noname	0.0343
25	H5     6.3253     1.9610    -2.3214	H	1	noname	0.0343
26	H6     4.1240    -1.5186     0.3140	H	1	noname	0.0641
27	H7     1.8673     0.0960    -0.8856	H	1	noname	0.0657
28	H8     2.9223    -3.6152    -0.4869	H	1	noname	0.0852
29	H9     1.7040    -1.8072     1.1323	H	1	noname	0.2106
30	H10     1.0409    -1.8577    -2.1714	H	1	noname	0.0674
31	H11     0.8384    -2.5435     0.4993	H	1	noname	0.2107
32	H12     0.8280    -3.7967    -3.2945	H	1	noname	0.0793
33	H13     1.5893    -5.8014    -4.9329	H	1	noname	0.0644
34	H14     6.8612    -6.1145    -1.9420	H	1	noname	0.1062
35	H15     3.1055    -7.6963    -5.3917	H	1	noname	0.1258
36	H16     4.7939    -7.6963    -5.8494	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	4	2	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	7	9	1
11	9	11	1
12	10	12	1
13	10	13	1
14	12	14	2
15	12	15	1
16	13	16	2
17	14	17	1
18	15	18	2
19	15	16	1
20	17	19	2
21	18	20	1
22	18	19	1
23	2	21	1
24	2	22	1
25	3	23	1
26	3	24	1
27	3	25	1
28	4	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	9	30	1
33	11	31	1
34	13	32	1
35	16	33	1
36	17	34	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1