@<TRIPOS>MOLECULE
DB01467
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5633     1.2996    -1.4163	O.3	1	noname	-0.2792
2	C1     1.8789     1.5085    -0.1204	C.2	1	noname	-0.0183
3	C2     0.1528     1.2063    -1.5509	C.3	1	noname	0.0423
4	C3     2.1031     0.4269     0.7233	C.2	1	noname	-0.0260
5	C4     1.9795     2.8052     0.3700	C.2	1	noname	-0.0275
6	C5     2.4280     0.6420     2.0576	C.2	1	noname	-0.0260
7	C6     1.9974    -0.9351     0.2081	C.3	1	noname	0.0265
8	C7     2.3044     3.0202     1.7043	C.2	1	noname	-0.0255
9	C8     2.5287     1.9386     2.5481	C.2	1	noname	-0.0199
10	C9     3.3611    -1.3892    -0.3164	C.3	1	noname	0.0053
11	C10     2.4101     4.3822     2.2195	C.3	1	noname	0.0159
12	O2     2.8442     2.1475     3.8440	O.3	1	noname	-0.2795
13	N1     3.2552    -2.7531    -0.8323	N.3	1	noname	-0.3276
14	C11     3.8133    -0.4531    -1.4388	C.3	1	noname	-0.0497
15	C12     1.0464     4.8364     2.7440	C.3	1	noname	-0.0612
16	C13     4.2547     2.2408     3.9786	C.3	1	noname	0.0423
17	H1    -0.3053     1.1760    -0.5623	H	1	noname	0.0535
18	H2    -0.2183     2.0736    -2.0969	H	1	noname	0.0535
19	H3    -0.1008     0.2976    -2.0969	H	1	noname	0.0535
20	H4     1.8036     3.6533    -0.2916	H	1	noname	0.0654
21	H5     2.6039    -0.2062     2.7193	H	1	noname	0.0654
22	H6     1.7491    -1.5613     1.0650	H	1	noname	0.0332
23	H7     1.3185    -0.8818    -0.6429	H	1	noname	0.0332
24	H8     4.0960    -1.4084     0.4884	H	1	noname	0.0462
25	H9     3.0891     4.3289     3.0706	H	1	noname	0.0314
26	H10     2.6584     5.0084     1.3626	H	1	noname	0.0314
27	H11     2.3466    -3.1565    -1.0105	H	1	noname	0.1186
28	H12     4.0907    -3.2919    -1.0105	H	1	noname	0.1186
29	H13     4.1557    -1.0436    -2.2886	H	1	noname	0.0246
30	H14     2.9777     0.1757    -1.7464	H	1	noname	0.0246
31	H15     4.6287     0.1757    -1.0811	H	1	noname	0.0246
32	H16     1.0569     4.8329     3.8340	H	1	noname	0.0234
33	H17     0.8367     5.8442     2.3859	H	1	noname	0.0234
34	H18     0.2743     4.1555     2.3859	H	1	noname	0.0234
35	H19     4.5184     2.2583     5.0360	H	1	noname	0.0535
36	H20     4.7230     1.3799     3.5015	H	1	noname	0.0535
37	H21     4.6055     3.1560     3.5015	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	6	9	2
9	7	10	1
10	8	11	1
11	8	9	1
12	9	12	1
13	10	13	1
14	10	14	1
15	11	15	1
16	12	16	1
17	3	17	1
18	3	18	1
19	3	19	1
20	5	20	1
21	6	21	1
22	7	22	1
23	7	23	1
24	10	24	1
25	11	25	1
26	11	26	1
27	13	27	1
28	13	28	1
29	14	29	1
30	14	30	1
31	14	31	1
32	15	32	1
33	15	33	1
34	15	34	1
35	16	35	1
36	16	36	1
37	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1