@<TRIPOS>MOLECULE
DB03242
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.9262    -1.2234    -0.5351	O.3	1	noname	-0.3409
2	C1    -1.6243    -0.5292    -0.4389	C.3	1	noname	0.1922
3	C2    -3.9801    -0.9645     0.4417	C.3	1	noname	0.1124
4	O2    -0.5533    -1.4786    -0.8312	O.3	1	noname	-0.2568
5	C3    -1.3382     0.1589     0.9589	C.3	1	noname	0.1338
6	C4    -3.4608    -0.9058     1.9109	C.3	1	noname	0.1112
7	C5    -4.6837     0.3496     0.0966	C.3	1	noname	0.0722
8	C6     0.6886    -0.8883    -0.9726	C.2	1	noname	-0.0325
9	O3     0.0637     0.2893     1.1441	O.3	1	noname	-0.3849
10	C7    -1.9177    -0.7518     2.0550	C.3	1	noname	0.1134
11	O4    -4.1085     0.1535     2.5999	O.3	1	noname	-0.3874
12	O5    -5.2535     0.2549    -1.2005	O.3	1	noname	-0.3934
13	C8     1.0338    -0.2540    -2.2195	C.2	1	noname	-0.0304
14	C9     1.5731    -0.8044     0.1704	C.2	1	noname	-0.0304
15	O6    -1.6133    -0.2090     3.3313	O.3	1	noname	-0.3873
16	C10     2.1729     0.6030    -2.2804	C.2	1	noname	-0.0584
17	C11     2.7047     0.0578     0.1130	C.2	1	noname	-0.0584
18	C12     2.9727     0.7747    -1.0972	C.2	1	noname	-0.0443
19	N1     4.0014     1.6328    -1.1285	N.3	1	noname	-0.1578
20	H1    -1.6699     0.2597    -1.1896	H	1	noname	0.0956
21	H2    -4.6472    -1.8190     0.3287	H	1	noname	0.0657
22	H3    -1.7109     1.1799     1.0399	H	1	noname	0.0682
23	H4    -3.7599    -1.8238     2.4168	H	1	noname	0.0657
24	H5    -5.5270     0.4698     0.7767	H	1	noname	0.0591
25	H6    -3.9258     1.1297     0.0251	H	1	noname	0.0591
26	H7     0.2620     0.3077     2.0833	H	1	noname	0.2108
27	H8    -1.4248    -1.7237     2.0279	H	1	noname	0.0658
28	H9    -4.0254     0.0176     3.5466	H	1	noname	0.2106
29	H10    -5.3577    -0.6695    -1.4376	H	1	noname	0.2101
30	H11     0.4348    -0.4221    -3.1145	H	1	noname	0.0650
31	H12     1.3875    -1.3887     1.0717	H	1	noname	0.0650
32	H13    -1.4644    -0.9231     3.9555	H	1	noname	0.2106
33	H14     2.4261     1.1146    -3.2090	H	1	noname	0.0640
34	H15     3.3550     0.1672     0.9809	H	1	noname	0.0640
35	H16     4.9493     1.2846    -1.1403	H	1	noname	0.1242
36	H17     3.8287     2.6279    -1.1403	H	1	noname	0.1242
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	10	1
12	7	12	1
13	8	13	2
14	8	14	1
15	10	15	1
16	13	16	1
17	14	17	2
18	16	18	2
19	17	18	1
20	18	19	1
21	2	20	1
22	3	21	1
23	5	22	1
24	6	23	1
25	7	24	1
26	7	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	12	29	1
31	13	30	1
32	14	31	1
33	15	32	1
34	16	33	1
35	17	34	1
36	19	35	1
37	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1