@<TRIPOS>MOLECULE
DB07243
40 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3489    -1.2075     2.8806	O.2	1	noname	-0.2556
2	C1     2.9470    -2.2537     2.3270	C.2	1	noname	0.0983
3	O2     1.9176    -2.2764     1.3504	O.3	1	noname	-0.2035
4	C2     3.4927    -3.5879     2.6209	C.2	1	noname	0.0142
5	C3     1.8140    -0.9580     0.8256	C.3	1	noname	0.0706
6	C4     4.5495    -3.8235     3.4912	C.2	1	noname	0.0042
7	C5     3.1969    -4.8246     2.0371	C.2	1	noname	-0.0519
8	C6     0.4329    -0.3538     1.2896	C.3	1	noname	-0.0103
9	C7     2.0163    -1.0397    -0.7382	C.3	1	noname	-0.0103
10	C8     4.7844    -5.2087     3.4840	C.2	1	noname	0.0673
11	C9     5.3958    -2.9523     4.2441	C.2	1	noname	-0.0221
12	N1     3.9731    -5.7933     2.5758	N.3	1	noname	0.0076
13	C10    -0.7255    -0.5520     0.2450	C.3	1	noname	0.0121
14	C11     0.6721    -1.1231    -1.5539	C.3	1	noname	0.0121
15	N2     5.8027    -5.7442     4.2368	N.2	1	noname	-0.2506
16	C12     6.4708    -3.5136     4.9593	C.2	1	noname	-0.0504
17	N3    -0.2482    -0.0645    -1.0717	N.3	1	noname	-0.3002
18	C13    -1.0682    -2.0254    -0.0774	C.3	1	noname	-0.0359
19	C14    -0.1701    -2.3894    -1.2850	C.3	1	noname	-0.0359
20	C15     6.6633    -4.9322     4.9481	C.2	1	noname	-0.0011
21	C16    -1.3811     0.0511    -1.9885	C.3	1	noname	-0.0127
22	H1     2.6190    -0.3623     1.2561	H	1	noname	0.0611
23	H2     2.4551    -5.0100     1.2603	H	1	noname	0.0798
24	H3     0.1383    -0.9229     2.1713	H	1	noname	0.0309
25	H4     0.5865     0.7229     1.3621	H	1	noname	0.0309
26	H5     2.4804    -0.0970    -1.0282	H	1	noname	0.0309
27	H6     2.5334    -1.9813    -0.9229	H	1	noname	0.0309
28	H7     5.2241    -1.8763     4.2725	H	1	noname	0.0630
29	H8     3.9509    -6.7757     2.3422	H	1	noname	0.1537
30	H9    -1.5919    -0.0240     0.6433	H	1	noname	0.0468
31	H10     0.9523    -1.0397    -2.6040	H	1	noname	0.0468
32	H11     7.1440    -2.8596     5.5135	H	1	noname	0.0639
33	H12    -0.7490    -2.6330     0.7693	H	1	noname	0.0283
34	H13    -2.1050    -2.0591    -0.4123	H	1	noname	0.0283
35	H14    -0.8189    -2.5446    -2.1470	H	1	noname	0.0283
36	H15     0.5112    -3.1785    -0.9666	H	1	noname	0.0283
37	H16     7.4817    -5.4036     5.4921	H	1	noname	0.0839
38	H17    -2.3038     0.1453    -1.4158	H	1	noname	0.0394
39	H18    -1.2518     0.9325    -2.6166	H	1	noname	0.0394
40	H19    -1.4325    -0.8382    -2.6166	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	1
14	10	15	1
15	10	12	1
16	11	16	2
17	13	17	1
18	13	18	1
19	14	19	1
20	14	17	1
21	15	20	2
22	16	20	1
23	17	21	1
24	18	19	1
25	5	22	1
26	7	23	1
27	8	24	1
28	8	25	1
29	9	26	1
30	9	27	1
31	11	28	1
32	12	29	1
33	13	30	1
34	14	31	1
35	16	32	1
36	18	33	1
37	18	34	1
38	19	35	1
39	19	36	1
40	20	37	1
41	21	38	1
42	21	39	1
43	21	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1