@<TRIPOS>MOLECULE
DB07443
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8970     5.3061     0.6823	O.2	1	noname	-0.2657
2	C1     1.4136     4.1669     0.4842	C.2	1	noname	0.1297
3	N1     0.7514     4.0758    -0.7567	N.3	1	noname	-0.1329
4	C2     1.6661     3.1738     1.4706	C.2	1	noname	0.1123
5	C3     0.1743     3.0240    -1.4483	C.2	1	noname	-0.0204
6	C4     1.1478     3.3198     2.6265	C.1	1	noname	0.1049
7	C5     2.3878     2.0393     1.3721	C.2	1	noname	0.0329
8	C6     0.1603     1.7979    -0.7427	C.2	1	noname	-0.0312
9	C7    -0.3556     3.0954    -2.7879	C.2	1	noname	-0.0312
10	N2     0.6472     3.4102     3.6594	N.1	1	noname	-0.1750
11	O2     3.0342     1.5816     0.3087	O.3	1	noname	-0.2848
12	C8     2.4652     1.2357     2.5524	C.3	1	noname	-0.0167
13	C9    -0.2836     0.6246    -1.3421	C.2	1	noname	-0.0397
14	C10    -0.8275     1.8836    -3.4123	C.2	1	noname	-0.0397
15	C11    -0.7591     0.6123    -2.6956	C.2	1	noname	-0.0406
16	C12    -1.2015    -0.7089    -3.1754	C.2	1	noname	-0.0410
17	C13    -2.1779    -0.8057    -4.2221	C.2	1	noname	-0.0480
18	C14    -0.7321    -1.9559    -2.5880	C.2	1	noname	-0.0480
19	C15    -2.7231    -2.0557    -4.6317	C.2	1	noname	-0.0577
20	C16    -1.2518    -3.2206    -2.9519	C.2	1	noname	-0.0577
21	C17    -2.2603    -3.2358    -3.9638	C.2	1	noname	-0.0609
22	H1     0.6741     4.9500    -1.2566	H	1	noname	0.1374
23	H2     0.5010     1.7560     0.2918	H	1	noname	0.0639
24	H3    -0.3985     4.0468    -3.3181	H	1	noname	0.0639
25	H4     3.0279     0.6217     0.3190	H	1	noname	0.2177
26	H5     2.4471     0.1815     2.2761	H	1	noname	0.0301
27	H6     3.3918     1.4565     3.0823	H	1	noname	0.0301
28	H7     1.6156     1.4565     3.1987	H	1	noname	0.0301
29	H8    -0.2586    -0.2893    -0.7485	H	1	noname	0.0629
30	H9    -1.2343     1.9283    -4.4226	H	1	noname	0.0629
31	H10    -2.5170     0.1011    -4.7229	H	1	noname	0.0629
32	H11     0.0535    -1.9419    -1.8325	H	1	noname	0.0629
33	H12    -3.4669    -2.1074    -5.4269	H	1	noname	0.0622
34	H13    -0.8941    -4.1347    -2.4779	H	1	noname	0.0622
35	H14    -2.6983    -4.1950    -4.2397	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	3
10	7	11	1
11	7	12	1
12	8	13	1
13	9	14	2
14	13	15	2
15	14	15	1
16	15	16	1
17	16	17	2
18	16	18	1
19	17	19	1
20	18	20	2
21	19	21	2
22	20	21	1
23	3	22	1
24	8	23	1
25	9	24	1
26	11	25	1
27	12	26	1
28	12	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	17	31	1
33	18	32	1
34	19	33	1
35	20	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1