@<TRIPOS>MOLECULE
DB02501
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6442    -0.7846     1.0954	O.2	1	noname	-0.2468
2	C1     1.3069    -0.1841     0.0522	C.2	1	noname	0.1478
3	O2     2.2420     0.1716    -0.8541	O.3	1	noname	-0.2118
4	C2    -0.1657     0.1476    -0.1974	C.3	1	noname	0.1379
5	N1    -0.3156     1.5095    -0.3122	N.2	1	noname	-0.2219
6	C3    -0.6072    -0.4964    -1.4311	C.3	1	noname	-0.0197
7	C4    -1.0730     2.1381     0.4983	C.2	1	noname	0.0216
8	C5    -2.0798    -0.1647    -1.6807	C.3	1	noname	-0.0376
9	O3    -1.7132     1.4813     1.4476	O.3	1	noname	-0.2649
10	C6    -1.2290     3.5545     0.3788	C.3	1	noname	0.0208
11	C7    -2.5425    -0.8395    -2.9736	C.3	1	noname	0.0024
12	C8    -2.4020     3.8616    -0.5543	C.3	1	noname	0.0410
13	N2    -3.8996    -0.5338    -3.2036	N.3	1	noname	-0.1252
14	C9    -2.5612     5.3078    -0.6762	C.2	1	noname	0.1350
15	C10    -4.2958    -1.1116    -4.3106	C.2	1	noname	-0.1456
16	O4    -3.4678     5.7782    -1.3967	O.2	1	noname	-0.2558
17	O5    -1.7292     6.1369    -0.0108	O.3	1	noname	-0.2188
18	N3    -5.4978    -0.9667    -4.7105	N.2	1	noname	-0.2746
19	N4    -3.4571    -1.8383    -5.0066	N.3	1	noname	-0.1344
20	H1     3.0316     0.4721    -0.3982	H	1	noname	0.2213
21	H2    -0.8233    -0.1407     0.6227	H	1	noname	0.0661
22	H3    -0.0264    -0.0394    -2.2323	H	1	noname	0.0294
23	H4    -0.5374    -1.5691    -1.2509	H	1	noname	0.0294
24	H5    -2.6468    -0.6190    -0.8682	H	1	noname	0.0280
25	H6    -2.1359     0.9107    -1.8496	H	1	noname	0.0280
26	H7    -1.6167     0.5370     1.3044	H	1	noname	0.2195
27	H8    -1.4931     3.9054     1.3764	H	1	noname	0.0358
28	H9    -0.3169     3.9104    -0.1004	H	1	noname	0.0358
29	H10    -2.0004    -0.3889    -3.8049	H	1	noname	0.0432
30	H11    -2.5113    -1.9187    -2.8235	H	1	noname	0.0432
31	H12    -2.1337     3.5047    -1.5487	H	1	noname	0.0377
32	H13    -3.3099     3.4997    -0.0719	H	1	noname	0.0377
33	H14    -4.5168     0.0336    -2.6404	H	1	noname	0.1306
34	H15    -1.8479     6.0185     0.9344	H	1	noname	0.2213
35	H16    -6.1117    -0.8926    -3.9119	H	1	noname	0.1898
36	H17    -3.7065    -2.7795    -5.2749	H	1	noname	0.1267
37	H18    -2.5610    -1.4573    -5.2749	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	10	12	1
12	11	13	1
13	12	14	1
14	13	15	1
15	14	16	2
16	14	17	1
17	15	18	2
18	15	19	1
19	3	20	1
20	4	21	1
21	6	22	1
22	6	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	10	27	1
27	10	28	1
28	11	29	1
29	11	30	1
30	12	31	1
31	12	32	1
32	13	33	1
33	17	34	1
34	18	35	1
35	19	36	1
36	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1