@<TRIPOS>MOLECULE
DB07324
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0556    -0.6617     0.3649	O.2	1	noname	-0.2375
2	C1    -0.1547     0.1992     0.2667	C.2	1	noname	0.0971
3	O2     1.1547     0.0375     0.5179	O.3	1	noname	-0.1465
4	N1    -0.2922     1.4765    -0.1108	N.3	1	noname	0.0296
5	C2     1.8029     1.1976     0.2672	C.2	1	noname	0.0154
6	N2    -1.4426     2.0110    -0.4694	N.3	1	noname	-0.1649
7	C3     0.8753     2.1290    -0.1577	C.2	1	noname	-0.0192
8	C4    -2.1153     2.6253     0.6875	C.3	1	noname	0.0375
9	C5    -3.4141     3.2423     0.3377	C.2	1	noname	-0.0260
10	C6    -4.2086     3.8895     1.3507	C.2	1	noname	-0.0140
11	C7    -3.8822     3.1940    -1.0203	C.2	1	noname	-0.0466
12	C8    -3.8204     3.9576     2.5934	C.1	1	noname	-0.0201
13	C9    -5.4586     4.4873     1.0339	C.2	1	noname	-0.0367
14	C10    -5.1231     3.7871    -1.3378	C.2	1	noname	-0.0625
15	C11    -3.4007     3.9781     3.7232	C.1	1	noname	0.0046
16	C12    -5.8902     4.4207    -0.3183	C.2	1	noname	-0.0550
17	C13    -2.9927     4.0144     4.9454	C.2	1	noname	0.0409
18	N3    -1.6444     4.0226     5.1997	N.2	1	noname	-0.2375
19	C14    -3.9959     4.0579     5.9486	C.2	1	noname	-0.0243
20	C15    -1.1481     4.0725     6.4719	C.2	1	noname	0.0824
21	C16    -3.4576     4.1091     7.2521	C.2	1	noname	0.0132
22	N4    -2.0982     4.1142     7.4597	N.2	1	noname	-0.2587
23	N5     0.1660     4.0802     6.7340	N.3	1	noname	-0.0795
24	C17    -4.3590     4.1574     8.3995	C.3	1	noname	0.0353
25	H1     2.8752     1.3533     0.3858	H	1	noname	0.0913
26	H2    -1.7458     1.9604    -1.4315	H	1	noname	0.1427
27	H3     1.0320     3.1628    -0.4656	H	1	noname	0.0794
28	H4    -2.3429     1.8072     1.3708	H	1	noname	0.0494
29	H5    -1.4695     3.4417     1.0107	H	1	noname	0.0494
30	H6    -3.2996     2.7106    -1.8045	H	1	noname	0.0626
31	H7    -6.0624     4.9774     1.7977	H	1	noname	0.0635
32	H8    -5.4872     3.7559    -2.3647	H	1	noname	0.0622
33	H9    -6.8458     4.8728    -0.5835	H	1	noname	0.0623
34	H10    -5.0658     4.0526     5.7401	H	1	noname	0.0671
35	H11     0.6663     3.2084     6.8328	H	1	noname	0.1273
36	H12     0.6562     4.9577     6.8328	H	1	noname	0.1273
37	H13    -4.6044     3.1423     8.7118	H	1	noname	0.0295
38	H14    -3.8730     4.6829     9.2215	H	1	noname	0.0295
39	H15    -5.2727     4.6829     8.1219	H	1	noname	0.0295
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	7	2
8	6	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	10	13	1
14	11	14	2
15	12	15	3
16	13	16	2
17	14	16	1
18	15	17	1
19	17	18	2
20	17	19	1
21	18	20	1
22	19	21	2
23	20	22	2
24	20	23	1
25	21	24	1
26	21	22	1
27	5	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	8	29	1
32	11	30	1
33	13	31	1
34	14	32	1
35	16	33	1
36	19	34	1
37	23	35	1
38	23	36	1
39	24	37	1
40	24	38	1
41	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1