@<TRIPOS>MOLECULE
DB06218
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.5196    -1.9702    -1.2328	O.2	1	noname	-0.2897
2	C1    -2.4617    -1.8260    -0.5828	C.2	1	noname	0.0484
3	N1    -2.0685    -0.6018    -0.2058	N.3	1	noname	-0.0708
4	C2    -1.6544    -2.9916    -0.2343	C.3	1	noname	0.1111
5	C3    -0.8751    -0.4392     0.5273	C.3	1	noname	0.0278
6	N2    -2.4204    -3.8754     0.5533	N.3	1	noname	-0.0716
7	C4    -1.2086    -3.7039    -1.5129	C.3	1	noname	0.0706
8	C5    -0.6694     0.9775     0.8143	C.2	1	noname	-0.0486
9	C6    -2.4196    -3.7555     1.8879	C.2	1	noname	0.0394
10	O2    -0.4234    -4.8375    -1.1740	O.3	1	noname	-0.3823
11	C7     0.0438     1.7707    -0.0769	C.2	1	noname	-0.0531
12	C8    -1.1868     1.5330     1.9787	C.2	1	noname	-0.0531
13	O3    -3.0986    -4.5390     2.5862	O.2	1	noname	-0.2971
14	C9    -1.6256    -2.7099     2.5265	C.3	1	noname	0.0095
15	C10    -0.0096    -5.4986    -2.3606	C.3	1	noname	0.0357
16	C11     0.2396     3.1195     0.1963	C.2	1	noname	-0.0594
17	C12    -0.9910     2.8818     2.2519	C.2	1	noname	-0.0594
18	C13    -0.2778     3.6750     1.3607	C.2	1	noname	-0.0613
19	H1    -2.6556     0.1773    -0.4672	H	1	noname	0.1314
20	H2    -0.8185    -2.6724     0.3881	H	1	noname	0.0591
21	H3    -1.0328    -0.9447     1.4800	H	1	noname	0.0483
22	H4    -0.0679    -0.7583    -0.1319	H	1	noname	0.0483
23	H5    -2.9831    -4.6118     0.1519	H	1	noname	0.1319
24	H6    -2.0962    -4.1015    -2.0050	H	1	noname	0.0588
25	H7    -0.5378    -3.0370    -2.0546	H	1	noname	0.0588
26	H8     0.4495     1.3351    -0.9900	H	1	noname	0.0626
27	H9    -1.7460     0.9110     2.6776	H	1	noname	0.0626
28	H10    -1.6998    -2.8076     3.6096	H	1	noname	0.0324
29	H11    -0.5833    -2.8089     2.2234	H	1	noname	0.0324
30	H12    -2.0009    -1.7325     2.2234	H	1	noname	0.0324
31	H13    -0.0613    -6.5772    -2.2125	H	1	noname	0.0529
32	H14    -0.6653    -5.2130    -3.1832	H	1	noname	0.0529
33	H15     1.0154    -5.2130    -2.5971	H	1	noname	0.0529
34	H16     0.7989     3.7415    -0.5026	H	1	noname	0.0622
35	H17    -1.3967     3.3174     3.1650	H	1	noname	0.0622
36	H18    -0.1242     4.7327     1.5749	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	2
13	9	14	1
14	10	15	1
15	11	16	1
16	12	17	2
17	16	18	2
18	17	18	1
19	3	19	1
20	4	20	1
21	5	21	1
22	5	22	1
23	6	23	1
24	7	24	1
25	7	25	1
26	11	26	1
27	12	27	1
28	14	28	1
29	14	29	1
30	14	30	1
31	15	31	1
32	15	32	1
33	15	33	1
34	16	34	1
35	17	35	1
36	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1