@<TRIPOS>MOLECULE
DB01905
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.2047     4.6584    -0.4601	O.3	1	noname	-0.2786
2	C1     4.8528     3.3611    -0.3344	C.2	1	noname	-0.0041
3	C2     5.3954     5.2241     0.8284	C.3	1	noname	0.0423
4	C3     3.5110     3.0113    -0.2376	C.2	1	noname	0.0051
5	C4     5.8322     2.3753    -0.3018	C.2	1	noname	-0.0158
6	C5     3.1487     1.6756    -0.1082	C.2	1	noname	0.0128
7	C6     5.4698     1.0396    -0.1724	C.2	1	noname	-0.0133
8	C7     4.1280     0.6898    -0.0756	C.2	1	noname	0.0113
9	C8     1.8069     1.3257    -0.0113	C.2	1	noname	-0.0223
10	O2     3.7761    -0.6075     0.0501	O.3	1	noname	-0.2820
11	N1     1.3532     0.0603     0.1168	N.2	1	noname	-0.2167
12	N2     0.7821     2.2066    -0.0329	N.3	1	noname	-0.0276
13	C9     0.0088     0.1309     0.1743	C.2	1	noname	0.0205
14	C10    -0.3479     1.4935     0.1245	C.2	1	noname	-0.0524
15	C11    -0.9617    -0.9073     0.3102	C.2	1	noname	0.0261
16	C12    -1.7035     1.9289     0.2657	C.2	1	noname	-0.0233
17	C13    -2.3209    -0.4899     0.4120	C.2	1	noname	0.0074
18	C14    -2.6824     0.9025     0.4101	C.2	1	noname	-0.0102
19	C15    -3.2987    -1.4298     0.5131	C.2	1	noname	0.0024
20	N3    -4.5192    -1.0727     0.6048	N.2	1	noname	0.1640
21	N4    -2.9864    -2.7020     0.5163	N.3	1	noname	-0.1007
22	H1     5.5041     4.4262     1.5630	H	1	noname	0.0535
23	H2     6.2946     5.8401     0.8253	H	1	noname	0.0535
24	H3     4.5338     5.8401     1.0858	H	1	noname	0.0535
25	H4     2.7430     3.7843    -0.2631	H	1	noname	0.0658
26	H5     6.8844     2.6497    -0.3777	H	1	noname	0.0651
27	H6     6.2378     0.2666    -0.1468	H	1	noname	0.0651
28	H7     3.7147    -0.8336     0.9811	H	1	noname	0.2182
29	H8     0.8481     3.2081    -0.1453	H	1	noname	0.1543
30	H9    -0.6804    -1.9601     0.3350	H	1	noname	0.0655
31	H10    -1.9756     2.9844     0.2633	H	1	noname	0.0643
32	H11    -3.7284     1.1880     0.5214	H	1	noname	0.0632
33	H12    -4.7570    -0.0918     0.6412	H	1	noname	0.2870
34	H13    -5.2482    -1.7708     0.6412	H	1	noname	0.2870
35	H14    -3.7155    -3.4010     0.5175	H	1	noname	0.1297
36	H15    -2.0165    -2.9840     0.5175	H	1	noname	0.1297
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	2
7	6	8	2
8	6	9	1
9	7	8	1
10	8	10	1
11	9	11	2
12	9	12	1
13	11	13	1
14	12	14	1
15	13	15	1
16	13	14	2
17	14	16	1
18	15	17	2
19	16	18	2
20	17	19	1
21	17	18	1
22	19	20	2
23	19	21	1
24	3	22	1
25	3	23	1
26	3	24	1
27	4	25	1
28	5	26	1
29	7	27	1
30	10	28	1
31	12	29	1
32	15	30	1
33	16	31	1
34	18	32	1
35	20	33	1
36	20	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1