@<TRIPOS>MOLECULE
DB01938
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2871     2.8303    -1.2402	O.2	1	noname	-0.2698
2	C1     3.9671     1.9652    -0.6471	C.2	1	noname	0.1378
3	N1     3.4020     1.0522     0.2982	N.3	1	noname	-0.1353
4	C2     5.4520     1.7996    -0.8708	C.3	1	noname	0.0846
5	C3     2.0682     0.8462     0.4514	C.2	1	noname	-0.0172
6	N2     5.8605     0.4685    -1.3054	N.3	1	noname	-0.3200
7	C4     5.7403     2.7728    -2.0055	C.3	1	noname	0.0107
8	C5     1.1578     1.0832    -0.6204	C.2	1	noname	-0.0223
9	C6     1.6199     0.4610     1.7520	C.2	1	noname	-0.0313
10	C7     7.0835     3.3707    -1.9698	C.2	1	noname	-0.0675
11	C8    -0.2089     1.0210    -0.3492	C.2	1	noname	-0.0344
12	C9     0.2421     0.3652     2.0436	C.2	1	noname	-0.0399
13	N3     7.5453     4.1218    -2.9665	N.3	1	noname	-0.0483
14	C10     8.0994     3.2610    -1.0159	C.2	1	noname	0.0121
15	C11    -0.6730     0.6576     0.9793	C.2	1	noname	-0.0408
16	C12    -1.0915     1.3354    -1.4237	C.2	1	noname	-0.0462
17	C13     8.8196     4.4277    -2.6767	C.2	1	noname	-0.0518
18	N4     9.1664     3.9083    -1.4936	N.2	1	noname	-0.2418
19	C14    -2.0775     0.5713     1.2120	C.2	1	noname	-0.0483
20	C15    -2.4884     1.2466    -1.1634	C.2	1	noname	-0.0568
21	C16    -2.9709     0.8628     0.1270	C.2	1	noname	-0.0570
22	H1     3.9942     0.5074     0.9086	H	1	noname	0.1371
23	H2     5.9989     1.9329     0.0626	H	1	noname	0.0563
24	H3     5.1657    -0.2489    -1.4559	H	1	noname	0.1191
25	H4     6.8381     0.2643    -1.4559	H	1	noname	0.1191
26	H5     5.7158     2.1882    -2.9252	H	1	noname	0.0351
27	H6     5.0549     3.6100    -1.8735	H	1	noname	0.0351
28	H7     1.5008     1.3082    -1.6302	H	1	noname	0.0645
29	H8     2.3426     0.2361     2.5364	H	1	noname	0.0639
30	H9    -0.0977     0.0800     3.0393	H	1	noname	0.0629
31	H10     7.0278     4.4055    -3.7862	H	1	noname	0.1534
32	H11     8.0650     2.7517    -0.0528	H	1	noname	0.0856
33	H12    -0.7143     1.6310    -2.4027	H	1	noname	0.0629
34	H13     9.4805     5.0158    -3.3133	H	1	noname	0.1013
35	H14    -2.4583     0.2898     2.1938	H	1	noname	0.0629
36	H15    -3.1960     1.4750    -1.9604	H	1	noname	0.0622
37	H16    -4.0466     0.7907     0.2875	H	1	noname	0.0622
@<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	8	2
8	5	9	1
9	7	10	1
10	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	1
15	11	16	2
16	12	15	1
17	13	17	1
18	14	18	1
19	15	19	2
20	16	20	1
21	17	18	2
22	19	21	1
23	20	21	2
24	3	22	1
25	4	23	1
26	6	24	1
27	6	25	1
28	7	26	1
29	7	27	1
30	8	28	1
31	9	29	1
32	12	30	1
33	13	31	1
34	14	32	1
35	16	33	1
36	17	34	1
37	19	35	1
38	20	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1