@<TRIPOS>MOLECULE
DB06890
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4833     0.1784     0.9540	O.2	1	noname	-0.2734
2	C1    -2.1592    -0.9511     0.5277	C.2	1	noname	0.1328
3	N1    -0.9670    -1.1297    -0.0575	N.3	1	noname	-0.1355
4	C2    -3.0796    -2.0758     0.6673	C.3	1	noname	0.0578
5	C3    -0.1223    -0.0974    -0.1857	C.2	1	noname	-0.0023
6	C4    -4.2995    -1.6268     1.3320	C.2	1	noname	-0.0498
7	C5    -3.4263    -2.6261    -0.7175	C.3	1	noname	-0.0408
8	C6     1.2909    -0.3478    -0.1830	C.2	1	noname	-0.0024
9	C7    -0.6558     1.2280    -0.3218	C.2	1	noname	-0.0024
10	C8    -4.6846    -2.1992     2.5387	C.2	1	noname	-0.0539
11	C9    -5.0759    -0.6268     0.7580	C.2	1	noname	-0.0539
12	C10    -4.3908    -3.8048    -0.5712	C.3	1	noname	-0.0643
13	C11     2.1738     0.7727    -0.3215	C.2	1	noname	0.0043
14	C12     0.2680     2.3154    -0.4574	C.2	1	noname	0.0043
15	C13    -5.8460    -1.7716     3.1715	C.2	1	noname	-0.0597
16	C14    -6.2373    -0.1993     1.3908	C.2	1	noname	-0.0597
17	N2     1.6283     2.0419    -0.4513	N.2	1	noname	-0.2559
18	C15    -6.6224    -0.7717     2.5975	C.2	1	noname	-0.0614
19	H1    -0.7052    -2.0423    -0.4019	H	1	noname	0.1371
20	H2    -2.6052    -2.8272     1.2986	H	1	noname	0.0447
21	H3    -3.9683    -1.8393    -1.2421	H	1	noname	0.0275
22	H4    -2.5031    -3.0253    -1.1377	H	1	noname	0.0275
23	H5     1.6824    -1.3597    -0.0788	H	1	noname	0.0655
24	H6    -1.7316     1.4038    -0.3222	H	1	noname	0.0655
25	H7    -4.0758    -2.9833     2.9888	H	1	noname	0.0625
26	H8    -4.7740    -0.1779    -0.1883	H	1	noname	0.0625
27	H9    -4.5576    -4.0086     0.4865	H	1	noname	0.0231
28	H10    -5.3398    -3.5591    -1.0479	H	1	noname	0.0231
29	H11    -3.9622    -4.6863    -1.0479	H	1	noname	0.0231
30	H12     3.2579     0.6599    -0.3282	H	1	noname	0.0839
31	H13    -0.0632     3.3482    -0.5650	H	1	noname	0.0839
32	H14    -6.1480    -2.2205     4.1177	H	1	noname	0.0622
33	H15    -6.8461     0.5849     0.9407	H	1	noname	0.0622
34	H16    -7.5331    -0.4364     3.0937	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	2
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	2
14	10	15	1
15	11	16	2
16	13	17	2
17	14	17	1
18	15	18	2
19	16	18	1
20	3	19	1
21	4	20	1
22	7	21	1
23	7	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	12	27	1
29	12	28	1
30	12	29	1
31	13	30	1
32	14	31	1
33	15	32	1
34	16	33	1
35	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1