@<TRIPOS>MOLECULE
DB04407
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6902     0.0324     0.2301	S.3	1	noname	-0.2110
2	C1     1.9460     1.7718     0.2549	C.2	1	noname	0.0967
3	C2    -0.0673    -0.0028     0.0527	C.2	1	noname	0.0172
4	N1     0.6843     2.2467     0.1272	N.2	1	noname	-0.2257
5	N2     3.0944     2.4526     0.3704	N.3	1	noname	-0.0825
6	C3    -0.9393    -1.1250    -0.0347	C.2	1	noname	0.0363
7	C4    -0.3619     1.3729     0.0221	C.2	1	noname	0.0479
8	C5     2.9820     3.6826    -0.3097	C.3	1	noname	-0.0094
9	N3    -2.3041    -0.9341    -0.1725	N.2	1	noname	-0.2108
10	C6    -0.3810    -2.4381     0.0224	C.2	1	noname	-0.0074
11	C7    -1.7348     1.8498    -0.1167	C.3	1	noname	0.0440
12	C8    -3.1997    -1.9684    -0.2623	C.2	1	noname	0.0918
13	C9    -1.3163    -3.4972    -0.0714	C.2	1	noname	0.0160
14	N4    -2.6549    -3.2265    -0.2066	N.2	1	noname	-0.2269
15	N5    -4.5174    -1.7644    -0.3955	N.3	1	noname	0.0281
16	C10    -5.0835    -1.6957     0.8171	C.2	1	noname	-0.0413
17	C11    -6.4528    -1.4876     0.9341	C.2	1	noname	-0.0443
18	C12    -4.3014    -1.8326     1.9580	C.2	1	noname	-0.0443
19	C13    -7.0400    -1.4163     2.1919	C.2	1	noname	-0.0321
20	C14    -4.8886    -1.7613     3.2159	C.2	1	noname	-0.0321
21	C15    -6.2579    -1.5531     3.3328	C.2	1	noname	-0.0220
22	O1    -6.8282    -1.4839     4.5545	O.3	1	noname	-0.2896
23	H1     3.8959     2.1035     0.8762	H	1	noname	0.1301
24	H2     2.9080     4.4932     0.4152	H	1	noname	0.0396
25	H3     3.8619     3.8337    -0.9351	H	1	noname	0.0396
26	H4     2.0893     3.6718    -0.9351	H	1	noname	0.0396
27	H5     0.6882    -2.6200     0.1305	H	1	noname	0.0662
28	H6    -2.1688     2.0005     0.8717	H	1	noname	0.0296
29	H7    -1.7383     2.7931    -0.6628	H	1	noname	0.0296
30	H8    -2.3223     1.1117    -0.6628	H	1	noname	0.0296
31	H9    -1.0001    -4.5398    -0.0388	H	1	noname	0.0841
32	H10    -5.0080    -1.6761    -1.2739	H	1	noname	0.1373
33	H11    -7.0661    -1.3802     0.0394	H	1	noname	0.0640
34	H12    -3.2276    -1.9958     1.8663	H	1	noname	0.0640
35	H13    -8.1138    -1.2530     2.2837	H	1	noname	0.0650
36	H14    -4.2753    -1.8686     4.1106	H	1	noname	0.0650
37	H15    -6.9831    -2.3714     4.8861	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	7	1
8	5	8	1
9	6	9	2
10	6	10	1
11	7	11	1
12	9	12	1
13	10	13	2
14	12	14	2
15	12	15	1
16	13	14	1
17	15	16	1
18	16	17	2
19	16	18	1
20	17	19	1
21	18	20	2
22	19	21	2
23	20	21	1
24	21	22	1
25	5	23	1
26	8	24	1
27	8	25	1
28	8	26	1
29	10	27	1
30	11	28	1
31	11	29	1
32	11	30	1
33	13	31	1
34	15	32	1
35	17	33	1
36	18	34	1
37	19	35	1
38	20	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1