@<TRIPOS>MOLECULE
DB07151
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.2722    -3.1241    -0.1677	O.2	1	noname	-0.2201
2	C1    -2.0943    -2.7119    -0.2394	C.2	1	noname	0.1683
3	N1    -1.6752    -1.3773     0.0089	N.2	1	noname	-0.1307
4	N2    -0.9675    -3.5046    -0.5815	N.2	1	noname	-0.1305
5	C2    -0.5965    -0.7848    -0.4210	C.2	1	noname	0.0437
6	C3     0.1137    -2.9988    -1.0915	C.2	1	noname	0.0467
7	C4    -0.1891     0.4687     0.1542	C.2	1	noname	-0.0463
8	C5     0.2751    -1.5590    -1.3602	C.3	1	noname	0.0338
9	C6     1.1435    -3.8350    -1.3911	C.2	1	noname	-0.0317
10	C7     1.0808     1.1043    -0.1436	C.2	1	noname	-0.0311
11	C8    -0.9901     1.0628     1.2082	C.2	1	noname	-0.0345
12	C9     1.3349    -4.9953    -0.6499	C.2	1	noname	-0.0346
13	C10     2.0047    -3.5295    -2.4386	C.2	1	noname	-0.0346
14	C11     1.5780     2.2161     0.6170	C.2	1	noname	-0.0229
15	C12    -0.5288     2.1656     1.9874	C.2	1	noname	-0.0270
16	C13     2.3874    -5.8499    -0.9562	C.2	1	noname	-0.0537
17	C14     3.0572    -4.3842    -2.7448	C.2	1	noname	-0.0537
18	C15     0.7641     2.6980     1.6765	C.2	1	noname	0.0003
19	C16     2.8689     2.8269     0.3135	C.3	1	noname	0.0097
20	C17     3.2486    -5.5444    -2.0036	C.2	1	noname	-0.0513
21	O2     1.2346     3.7132     2.4317	O.3	1	noname	-0.2856
22	H1    -0.1047    -1.3859    -2.3671	H	1	noname	0.0398
23	H2     1.3084    -1.3110    -1.1173	H	1	noname	0.0398
24	H3     1.6849     0.7321    -0.9710	H	1	noname	0.0633
25	H4    -1.9811     0.6635     1.4239	H	1	noname	0.0630
26	H5     0.6596    -5.2349     0.1715	H	1	noname	0.0629
27	H6     1.8546    -2.6197    -3.0198	H	1	noname	0.0629
28	H7    -1.1392     2.5842     2.7876	H	1	noname	0.0650
29	H8     2.5375    -6.7598    -0.3749	H	1	noname	0.0622
30	H9     3.7325    -4.1446    -3.5662	H	1	noname	0.0622
31	H10     3.3833     3.0703     1.2431	H	1	noname	0.0280
32	H11     3.4742     2.1287    -0.2647	H	1	noname	0.0280
33	H12     2.7130     3.7377    -0.2647	H	1	noname	0.0280
34	H13     4.0739    -6.2146    -2.2438	H	1	noname	0.0622
35	H14     1.1332     3.4945     3.3609	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	2
6	5	7	1
7	5	8	1
8	6	9	1
9	6	8	1
10	7	10	2
11	7	11	1
12	9	12	2
13	9	13	1
14	10	14	1
15	11	15	2
16	12	16	1
17	13	17	2
18	14	18	2
19	14	19	1
20	15	18	1
21	16	20	2
22	17	20	1
23	18	21	1
24	8	22	1
25	8	23	1
26	10	24	1
27	11	25	1
28	12	26	1
29	13	27	1
30	15	28	1
31	16	29	1
32	17	30	1
33	19	31	1
34	19	32	1
35	19	33	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1