@<TRIPOS>MOLECULE
DB01332
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9561    -0.0175     1.9794	S.3	1	noname	-0.1355
2	C1     1.1651     0.3670     0.3672	C.3	1	noname	0.0924
3	C2     1.8247    -1.8641     2.0963	C.3	1	noname	0.0151
4	N1     0.0355    -0.4750     0.2322	N.3	1	noname	0.0585
5	C3     0.2524     1.5993     0.1235	C.3	1	noname	0.1144
6	C4     0.7553    -2.4320     1.2733	C.2	1	noname	-0.0021
7	C5    -0.0779    -1.8131     0.4071	C.2	1	noname	0.0261
8	C6    -0.7772     0.5667     0.0126	C.2	1	noname	0.0857
9	N2     0.1162     2.4595     1.2394	N.3	1	noname	-0.0539
10	C7    -1.0352    -2.5456    -0.2973	C.2	1	noname	0.0988
11	O1    -2.0043     0.6942    -0.1992	O.2	1	noname	-0.2823
12	C8     0.6480     3.6992     1.3441	C.2	1	noname	0.0703
13	O2    -1.1628    -3.7844    -0.1610	O.2	1	noname	-0.2534
14	O3    -1.8526    -1.9692    -1.2147	O.3	1	noname	-0.2145
15	O4     1.3703     4.1473     0.4154	O.2	1	noname	-0.2787
16	C9     0.4154     4.4773     2.4814	C.2	1	noname	0.1151
17	N3    -0.7601     4.4833     3.0441	N.2	1	noname	-0.1631
18	C10     1.4005     5.3436     3.0281	C.2	1	noname	0.0598
19	O5    -1.9010     3.9670     2.7049	O.3	1	noname	-0.1945
20	N4     1.0575     6.2341     4.0301	N.2	1	noname	-0.2161
21	C11     2.7631     5.3938     2.6149	C.2	1	noname	0.0500
22	C12    -2.2333     2.6580     3.2083	C.3	1	noname	0.0662
23	C13     1.9953     7.0703     4.5287	C.2	1	noname	0.0986
24	S2     3.4395     6.6659     3.6226	S.3	1	noname	-0.1832
25	N5     1.8962     7.9954     5.4977	N.3	1	noname	-0.0904
26	H1     1.9413     0.3634    -0.3981	H	1	noname	0.0615
27	H2     2.7042    -2.3306     1.6527	H	1	noname	0.0425
28	H3     1.4997    -2.1536     3.0957	H	1	noname	0.0425
29	H4     0.3980     2.4066    -0.5942	H	1	noname	0.0592
30	H5     0.5427    -3.5003     1.3123	H	1	noname	0.0603
31	H6    -0.4150     2.1577     2.0436	H	1	noname	0.1323
32	H7    -2.5453    -1.4807    -0.7641	H	1	noname	0.2217
33	H8     3.1378     4.7264     1.8388	H	1	noname	0.0764
34	H9    -2.2287     2.6760     4.2982	H	1	noname	0.0558
35	H10    -3.2238     2.3730     2.8538	H	1	noname	0.0558
36	H11    -1.4986     1.9351     2.8538	H	1	noname	0.0558
37	H12     2.7291     8.3431     5.9510	H	1	noname	0.1266
38	H13     0.9888     8.3431     5.7730	H	1	noname	0.1266
@<TRIPOS>BOND
1	2	1	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	8	1
10	6	7	2
11	7	10	1
12	8	11	2
13	9	12	1
14	10	13	2
15	10	14	1
16	12	15	2
17	12	16	1
18	16	17	2
19	16	18	1
20	17	19	1
21	18	20	1
22	18	21	2
23	19	22	1
24	20	23	2
25	21	24	1
26	23	25	1
27	23	24	1
28	2	26	1
29	3	27	1
30	3	28	1
31	5	29	1
32	6	30	1
33	9	31	1
34	14	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
39	25	37	1
40	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1