@<TRIPOS>MOLECULE
DB01977
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9662     1.7152     1.6597	O.2	1	noname	-0.2776
2	C1     3.3682     1.5622     0.5727	C.2	1	noname	0.0851
3	N1     3.9536     1.9377    -0.5727	N.3	1	noname	-0.1397
4	C2     2.0961     1.0025     0.5521	C.2	1	noname	-0.0049
5	C3     5.1800     2.4773    -0.5528	C.2	1	noname	-0.0222
6	C4     1.6771     0.2694    -0.5521	C.2	1	noname	0.0027
7	C5     1.2429     1.1758     1.6357	C.2	1	noname	-0.0072
8	C6     5.7872     2.8669    -1.7409	C.2	1	noname	-0.0362
9	C7     5.8450     2.6475     0.6559	C.2	1	noname	-0.0362
10	C8     0.4049    -0.2903    -0.5727	C.2	1	noname	-0.0235
11	C9    -0.0293     0.6161     1.6151	C.2	1	noname	-0.0301
12	C10     7.0594     3.4266    -1.7203	C.2	1	noname	-0.0544
13	C11     7.1171     3.2072     0.6765	C.2	1	noname	-0.0544
14	C12    -0.4483    -0.1170     0.5109	C.2	1	noname	-0.0144
15	C13    -0.0141    -1.0233    -1.6769	C.2	1	noname	-0.0368
16	C14     7.7243     3.5967    -0.5116	C.2	1	noname	-0.0621
17	C15    -1.7204    -0.6767     0.4903	C.2	1	noname	-0.0191
18	C16    -1.2862    -1.5830    -1.6975	C.2	1	noname	-0.0318
19	C17    -2.1394    -1.4097    -0.6139	C.2	1	noname	-0.0204
20	C18    -3.3841    -1.9573    -0.6340	C.2	1	noname	-0.0761
21	N2    -3.7684    -2.6297    -1.6469	N.2	1	noname	-0.2745
22	N3    -4.1882    -1.7940     0.3872	N.3	1	noname	-0.1373
23	H1     3.4704     1.8141    -1.4510	H	1	noname	0.1374
24	H2     2.3461     0.1335    -1.4018	H	1	noname	0.0637
25	H3     1.5714     1.7506     2.5015	H	1	noname	0.0630
26	H4     5.2658     2.7335    -2.6888	H	1	noname	0.0639
27	H5     5.3688     2.3420     1.5876	H	1	noname	0.0639
28	H6    -0.6983     0.7520     2.4648	H	1	noname	0.0629
29	H7     7.5355     3.7321    -2.6520	H	1	noname	0.0623
30	H8     7.6386     3.3406     1.6243	H	1	noname	0.0623
31	H9     0.6550    -1.1592    -2.5266	H	1	noname	0.0629
32	H10     8.7219     4.0356    -0.4955	H	1	noname	0.0622
33	H11    -2.3895    -0.5408     1.3400	H	1	noname	0.0636
34	H12    -1.6148    -2.1579    -2.5633	H	1	noname	0.0630
35	H13    -3.6917    -3.6163    -1.4448	H	1	noname	0.1888
36	H14    -3.8109    -1.7310     1.3219	H	1	noname	0.1257
37	H15    -5.1854    -1.7310     0.2397	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	2
11	8	12	1
12	9	13	2
13	10	14	1
14	10	15	2
15	11	14	1
16	12	16	2
17	13	16	1
18	14	17	2
19	15	18	1
20	17	19	1
21	18	19	2
22	19	20	1
23	20	21	2
24	20	22	1
25	3	23	1
26	6	24	1
27	7	25	1
28	8	26	1
29	9	27	1
30	11	28	1
31	12	29	1
32	13	30	1
33	15	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	21	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1