@<TRIPOS>MOLECULE
DB02213
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6630     6.3242     3.7828	O.2	1	noname	-0.1445
2	N1     0.9583     5.2632     3.4031	N.2	1	noname	-0.0134
3	O2     1.1663     4.3301     4.2315	O.3	1	noname	-0.1445
4	C1     1.0746     5.0372     2.1230	C.2	1	noname	0.0445
5	C2     1.4354     3.7433     1.6430	C.2	1	noname	0.0570
6	C3     0.8412     6.0882     1.1689	C.2	1	noname	0.0169
7	C4     1.5996     3.5314     0.2270	C.2	1	noname	0.0294
8	C5     0.8879     5.8575    -0.2435	C.2	1	noname	-0.0234
9	O3     2.2212     2.3805    -0.2212	O.3	1	noname	-0.2495
10	C6     1.2392     4.5635    -0.7223	C.2	1	noname	0.0054
11	C7     3.7026     2.4719    -0.2423	C.3	1	noname	0.1922
12	O4     4.2557     1.1301    -0.5261	O.3	1	noname	-0.3409
13	C8     4.2228     3.6211    -1.2006	C.3	1	noname	0.1338
14	C9     5.4470     0.9777    -1.3562	C.3	1	noname	0.1124
15	O5     3.2714     4.6746    -1.2362	O.3	1	noname	-0.3849
16	C10     4.3775     3.0223    -2.6086	C.3	1	noname	0.1134
17	C11     5.4340     1.8788    -2.6283	C.3	1	noname	0.1112
18	C12     6.6922     1.2890    -0.5234	C.3	1	noname	0.0722
19	O6     4.7669     4.0422    -3.5166	O.3	1	noname	-0.3873
20	O7     6.7263     2.4318    -2.8298	O.3	1	noname	-0.3874
21	O8     6.7630     0.3923     0.5754	O.3	1	noname	-0.3934
22	H1     1.5838     2.9266     2.3495	H	1	noname	0.0674
23	H2     0.6217     7.0936     1.5283	H	1	noname	0.0647
24	H3     0.6584     6.6582    -0.9466	H	1	noname	0.0624
25	H4     1.2323     4.3669    -1.7944	H	1	noname	0.0650
26	H5     4.0399     2.7067     0.7673	H	1	noname	0.0956
27	H6     5.1395     4.1045    -0.8628	H	1	noname	0.0682
28	H7     5.4156    -0.0697    -1.6562	H	1	noname	0.0657
29	H8     3.0418     4.9289    -0.3394	H	1	noname	0.2108
30	H9     3.4117     2.6668    -2.9679	H	1	noname	0.0658
31	H10     5.2365     1.2470    -3.4943	H	1	noname	0.0657
32	H11     7.5692     1.0716    -1.1331	H	1	noname	0.0591
33	H12     6.5657     2.2783    -0.0837	H	1	noname	0.0591
34	H13     5.0611     4.8128    -3.0253	H	1	noname	0.2106
35	H14     7.1356     2.6070    -1.9793	H	1	noname	0.2106
36	H15     6.7422    -0.5116     0.2527	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	1
9	7	10	2
10	8	10	1
11	11	9	1
12	11	12	1
13	11	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	1
18	14	18	1
19	16	19	1
20	16	17	1
21	17	20	1
22	18	21	1
23	5	22	1
24	6	23	1
25	8	24	1
26	10	25	1
27	11	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	16	30	1
32	17	31	1
33	18	32	1
34	18	33	1
35	19	34	1
36	20	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1