@<TRIPOS>MOLECULE
DB01734
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0484     0.2131     0.7143	O.2	1	noname	-0.2580
2	C1     3.4359     1.2688     0.4444	C.2	1	noname	0.0915
3	O2     4.0933     2.4479     0.4387	O.3	1	noname	-0.2179
4	C2     2.0780     1.2287     0.1501	C.2	1	noname	0.0247
5	C3     1.3970     2.4027    -0.1501	C.2	1	noname	0.0345
6	C4     1.4012     0.0146     0.1559	C.2	1	noname	0.0138
7	N1     2.0495     3.5731    -0.1557	N.3	1	noname	-0.1050
8	C5     0.0391     2.3626    -0.4444	C.2	1	noname	-0.0049
9	C6     0.0433    -0.0255    -0.1384	C.2	1	noname	-0.0250
10	C7     1.4006     4.7034     0.1557	C.2	1	noname	0.1866
11	C8    -0.6378     1.1485    -0.4386	C.2	1	noname	-0.0150
12	C9    -0.6336    -1.2395    -0.1326	C.2	1	noname	-0.0463
13	O3     2.0092     5.7952     0.1504	O.2	1	noname	-0.2375
14	C10     0.0507     4.6618     0.4844	C.2	1	noname	0.1747
15	C11    -1.9957     1.1084    -0.7329	C.2	1	noname	-0.0418
16	C12    -1.9914    -1.2796    -0.4270	C.2	1	noname	-0.0569
17	O4    -0.5546     5.7162     0.7748	O.2	1	noname	-0.2256
18	O5    -0.6067     3.4827     0.4901	O.3	1	noname	-0.1950
19	C13    -2.6725    -0.1057    -0.7271	C.2	1	noname	-0.0564
20	H1     4.2509     2.7307     1.3425	H	1	noname	0.2216
21	H2     1.9352    -0.9059     0.3912	H	1	noname	0.0638
22	H3     3.0303     3.6033    -0.3945	H	1	noname	0.1376
23	H4    -0.4950     3.2832    -0.6797	H	1	noname	0.0646
24	H5    -0.0995    -2.1601     0.1027	H	1	noname	0.0629
25	H6    -2.5297     2.0290    -0.9682	H	1	noname	0.0629
26	H7    -2.5222    -2.2317    -0.4224	H	1	noname	0.0622
27	H8    -0.7607     3.2065     1.3965	H	1	noname	0.2218
28	H9    -3.7373    -0.1371    -0.9579	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	2
12	9	11	1
13	10	13	2
14	10	14	1
15	11	15	2
16	12	16	1
17	14	17	2
18	14	18	1
19	15	19	1
20	16	19	2
21	3	20	1
22	6	21	1
23	7	22	1
24	8	23	1
25	12	24	1
26	15	25	1
27	16	26	1
28	18	27	1
29	19	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1