@<TRIPOS>MOLECULE
DB01001
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1016     5.3391    -3.5764	O.3	1	noname	-0.2833
2	C1    -0.2747     4.9077    -2.6004	C.2	1	noname	0.0106
3	C2     0.1593     3.5873    -2.5903	C.2	1	noname	-0.0119
4	C3     0.1426     5.7841    -1.6054	C.2	1	noname	-0.0255
5	C4     1.0107     3.1432    -1.5854	C.2	1	noname	-0.0275
6	C5    -0.2790     2.6668    -3.6354	C.3	1	noname	0.0708
7	C6     0.9940     5.3400    -0.6004	C.2	1	noname	-0.0385
8	C7     1.4281     4.0195    -0.5904	C.2	1	noname	-0.0508
9	O2     0.1379     3.1554    -4.9019	O.3	1	noname	-0.3914
10	C8     2.3223     3.5531     0.4652	C.3	1	noname	0.0916
11	O3     3.5334     3.0874    -0.1119	O.3	1	noname	-0.3870
12	C9     2.6247     4.7063     1.4240	C.3	1	noname	0.0260
13	N1     3.5202     4.2392     2.4811	N.3	1	noname	-0.3091
14	C10     3.8091     5.3412     3.3973	C.3	1	noname	0.0099
15	C11     4.7463     4.8524     4.5035	C.3	1	noname	-0.0474
16	C12     4.4792     6.4816     2.6282	C.3	1	noname	-0.0474
17	C13     2.5043     5.8430     4.0191	C.3	1	noname	-0.0474
18	H1    -1.4846     4.5837    -4.0284	H	1	noname	0.2182
19	H2    -0.1978     6.8196    -1.6133	H	1	noname	0.0650
20	H3     1.3511     2.1077    -1.5775	H	1	noname	0.0631
21	H4     0.2502     1.7265    -3.4810	H	1	noname	0.0615
22	H5    -1.3689     2.6836    -3.6448	H	1	noname	0.0615
23	H6     1.3213     6.0272     0.1798	H	1	noname	0.0627
24	H7     0.3292     2.4156    -5.4830	H	1	noname	0.2105
25	H8     1.8641     2.6989     0.9638	H	1	noname	0.0665
26	H9     4.1496     2.8504     0.5851	H	1	noname	0.2109
27	H10     3.1838     5.4586     0.8676	H	1	noname	0.0458
28	H11     1.6915     4.9760     1.9186	H	1	noname	0.0458
29	H12     3.8831     3.3004     2.5653	H	1	noname	0.1228
30	H13     4.7566     3.7625     4.5157	H	1	noname	0.0249
31	H14     5.7540     5.2232     4.3162	H	1	noname	0.0249
32	H15     4.3959     5.2232     5.4668	H	1	noname	0.0249
33	H16     4.9000     7.1978     3.3340	H	1	noname	0.0249
34	H17     5.2748     6.0789     2.0014	H	1	noname	0.0249
35	H18     3.7401     6.9806     2.0014	H	1	noname	0.0249
36	H19     2.5843     5.8123     5.1057	H	1	noname	0.0249
37	H20     2.3190     6.8678     3.6972	H	1	noname	0.0249
38	H21     1.6801     5.2064     3.6972	H	1	noname	0.0249
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	7	8	1
10	8	10	1
11	10	11	1
12	10	12	1
13	12	13	1
14	13	14	1
15	14	15	1
16	14	16	1
17	14	17	1
18	1	18	1
19	4	19	1
20	5	20	1
21	6	21	1
22	6	22	1
23	7	23	1
24	9	24	1
25	10	25	1
26	11	26	1
27	12	27	1
28	12	28	1
29	13	29	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
36	17	36	1
37	17	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1