@<TRIPOS>MOLECULE
DB07481
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1264     2.6459    -1.4541	O.2	1	noname	-0.2858
2	C1     0.8205     2.1144    -0.8350	C.2	1	noname	0.0619
3	N1     2.0269     1.8769    -1.4385	N.3	1	noname	0.0433
4	C2     0.6950     1.7304     0.5217	C.2	1	noname	0.0444
5	C3     3.1042     1.2917    -0.8074	C.2	1	noname	-0.0810
6	C4     1.7824     1.1247     1.1578	C.2	1	noname	-0.0046
7	C5    -0.3394     1.8725     1.4356	C.2	1	noname	0.0047
8	N2     2.9698     0.9068     0.5038	N.2	1	noname	-0.2175
9	N3     4.2588     1.1023    -1.4605	N.3	1	noname	-0.1236
10	N4     1.4255     0.8627     2.4333	N.3	1	noname	-0.0127
11	C6     0.1650     1.3180     2.6166	C.2	1	noname	-0.0811
12	C7    -1.6551     2.4657     1.2147	C.3	1	noname	0.0322
13	N5    -2.3294     1.7506     0.2038	N.3	1	noname	-0.0349
14	C8    -3.5628     2.1191    -0.1686	C.2	1	noname	0.0495
15	O2    -4.1606     1.4851    -1.0648	O.2	1	noname	-0.2527
16	O3    -4.1597     3.1750     0.4241	O.3	1	noname	-0.1969
17	C9    -5.4667     3.5654     0.0295	C.3	1	noname	0.0710
18	C10    -5.9060     4.7794     0.8505	C.3	1	noname	-0.0357
19	C11    -5.4634     3.9290    -1.4567	C.3	1	noname	-0.0357
20	C12    -6.4388     2.4086     0.2694	C.3	1	noname	-0.0357
21	H1     2.1282     2.1494    -2.4057	H	1	noname	0.1400
22	H2     4.5524     0.1678    -1.7066	H	1	noname	0.1268
23	H3     4.8355     1.8941    -1.7066	H	1	noname	0.1268
24	H4     2.0000     0.4066     3.1276	H	1	noname	0.1537
25	H5    -0.3623     1.2488     3.5680	H	1	noname	0.0793
26	H6    -2.2344     2.3215     2.1267	H	1	noname	0.0484
27	H7    -1.4974     3.4704     0.8224	H	1	noname	0.0484
28	H8    -1.9192     0.9555    -0.2648	H	1	noname	0.1338
29	H9    -5.8227     4.5491     1.9127	H	1	noname	0.0259
30	H10    -5.2673     5.6298     0.6119	H	1	noname	0.0259
31	H11    -6.9410     5.0241     0.6119	H	1	noname	0.0259
32	H12    -5.4621     3.0171    -2.0538	H	1	noname	0.0259
33	H13    -6.3529     4.5144    -1.6895	H	1	noname	0.0259
34	H14    -4.5729     4.5144    -1.6856	H	1	noname	0.0259
35	H15    -6.5660     2.2572     1.3413	H	1	noname	0.0259
36	H16    -7.4028     2.6447    -0.1811	H	1	noname	0.0259
37	H17    -6.0401     1.4996    -0.1811	H	1	noname	0.0259
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	6	8	1
11	7	11	2
12	7	12	1
13	10	11	1
14	12	13	1
15	13	14	1
16	14	15	2
17	14	16	1
18	16	17	1
19	17	18	1
20	17	19	1
21	17	20	1
22	3	21	1
23	9	22	1
24	9	23	1
25	10	24	1
26	11	25	1
27	12	26	1
28	12	27	1
29	13	28	1
30	18	29	1
31	18	30	1
32	18	31	1
33	19	32	1
34	19	33	1
35	19	34	1
36	20	35	1
37	20	36	1
38	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1