@<TRIPOS>MOLECULE
DB02395
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3713    -0.7589     2.0585	O.2	1	noname	-0.2886
2	C1    -0.7898    -0.8630     0.9569	C.2	1	noname	0.0855
3	C2    -0.6315    -2.1140     0.2268	C.2	1	noname	-0.0086
4	C3    -0.1694     0.2782     0.2221	C.2	1	noname	0.0364
5	N1    -1.1538    -3.2404     0.7866	N.3	1	noname	-0.1201
6	C4    -0.0067    -2.2404    -0.9615	C.2	1	noname	0.0646
7	C5     0.4989     0.1440    -0.9926	C.2	1	noname	-0.0274
8	C6    -0.0851     1.6149     0.5849	C.2	1	noname	0.0017
9	C7    -0.1479    -3.8727     1.6385	C.3	1	noname	0.0164
10	C8    -0.4722    -4.4149     0.2451	C.3	1	noname	0.0164
11	C9     0.6375    -1.1529    -1.6947	C.2	1	noname	0.0828
12	N2     1.0153     1.3265    -1.3503	N.3	1	noname	0.0021
13	C10     0.6794     2.2318    -0.4114	C.2	1	noname	-0.0585
14	C11    -0.6726     2.2469     1.7627	C.3	1	noname	0.0706
15	O2     1.2338    -1.2994    -2.7835	O.2	1	noname	-0.2907
16	C12     1.7783     1.5799    -2.5086	C.3	1	noname	-0.0536
17	C13     1.0557     3.6423    -0.4304	C.3	1	noname	0.0221
18	O3    -2.0832     2.0866     1.7318	O.3	1	noname	-0.3915
19	C14     2.3911     3.8237     0.2940	C.3	1	noname	-0.0246
20	C15     2.7854     5.3019     0.2741	C.3	1	noname	0.0435
21	O4     4.0248     5.4702     0.9464	O.3	1	noname	-0.3962
22	H1    -0.0229    -3.2610    -1.3441	H	1	noname	0.0682
23	H2     0.7948    -3.3342     1.7355	H	1	noname	0.0448
24	H3    -0.5354    -4.4488     2.4788	H	1	noname	0.0448
25	H4    -1.0627    -5.3305     0.2129	H	1	noname	0.0448
26	H5     0.2675    -4.2159    -0.5304	H	1	noname	0.0448
27	H6    -0.3211     1.6954     2.6347	H	1	noname	0.0615
28	H7    -0.4845     3.3176     1.6828	H	1	noname	0.0615
29	H8     2.0765     0.6343    -2.9614	H	1	noname	0.0436
30	H9     1.1808     2.1507    -3.2195	H	1	noname	0.0436
31	H10     2.6673     2.1507    -2.2404	H	1	noname	0.0436
32	H11     1.2126     3.8966    -1.4786	H	1	noname	0.0330
33	H12     0.2935     4.1637     0.1487	H	1	noname	0.0330
34	H13    -2.4206     2.0483     2.6298	H	1	noname	0.2105
35	H14     2.2219     3.5572     1.3373	H	1	noname	0.0294
36	H15     3.1409     3.2901    -0.2901	H	1	noname	0.0294
37	H16     2.9749     5.5869    -0.7608	H	1	noname	0.0563
38	H17     2.0559     5.8540     0.8666	H	1	noname	0.0563
39	H18     3.8795     5.4505     1.8951	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	7	12	1
12	7	11	1
13	8	13	2
14	8	14	1
15	9	10	1
16	11	15	2
17	12	16	1
18	12	13	1
19	13	17	1
20	14	18	1
21	17	19	1
22	19	20	1
23	20	21	1
24	6	22	1
25	9	23	1
26	9	24	1
27	10	25	1
28	10	26	1
29	14	27	1
30	14	28	1
31	16	29	1
32	16	30	1
33	16	31	1
34	17	32	1
35	17	33	1
36	18	34	1
37	19	35	1
38	19	36	1
39	20	37	1
40	20	38	1
41	21	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1