@<TRIPOS>MOLECULE
DB03952
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5613    -1.1858     2.0090	O.3	1	noname	-0.3480
2	C1     2.6064    -0.2386     1.5617	C.3	1	noname	0.1590
3	C2     3.8662    -1.8932     0.8317	C.3	1	noname	0.1142
4	N1     2.2523     0.6577     2.6181	N.3	1	noname	0.0163
5	C3     3.2086     0.3517     0.2846	C.3	1	noname	0.1258
6	C4     3.8928    -0.8756    -0.3108	C.3	1	noname	0.1129
7	C5     5.2450    -2.5419     0.9692	C.3	1	noname	0.0802
8	C6     1.7487     0.2694     3.8112	C.2	1	noname	0.1107
9	C7     2.3760     2.0187     2.6672	C.2	1	noname	-0.0358
10	O2     2.1643     0.7768    -0.5786	O.3	1	noname	-0.3857
11	O3     3.1230    -1.3654    -1.3989	O.3	1	noname	-0.3873
12	O4     5.2392    -3.4371     2.0714	O.3	1	noname	-0.3905
13	C8     6.2986    -1.4565     1.1993	C.3	1	noname	-0.0363
14	N2     1.4152    -0.9629     4.3022	N.2	1	noname	-0.2210
15	C9     1.6288     1.4435     4.5693	C.2	1	noname	0.0503
16	N3     1.9972     2.5052     3.8613	N.2	1	noname	-0.2160
17	C10     0.9672    -1.0649     5.5975	C.2	1	noname	0.0505
18	C11     1.1755     1.3310     5.8978	C.2	1	noname	0.0533
19	N4     0.8704     0.0805     6.3505	N.2	1	noname	-0.2522
20	C12     1.0376     2.5044     6.7556	C.3	1	noname	0.0470
21	H1     1.6262    -0.6781     1.3771	H	1	noname	0.0853
22	H2     3.0917    -2.6506     0.7106	H	1	noname	0.0659
23	H3     3.8248     1.2432     0.4008	H	1	noname	0.0674
24	H4     4.8762    -0.6896    -0.7424	H	1	noname	0.0657
25	H5     5.4862    -3.1526     0.0992	H	1	noname	0.0625
26	H6     2.7350     2.6435     1.8493	H	1	noname	0.1016
27	H7     1.4194     1.0800    -0.0544	H	1	noname	0.2107
28	H8     3.1299    -2.3254    -1.3892	H	1	noname	0.2106
29	H9     5.2409    -4.3414     1.7491	H	1	noname	0.2105
30	H10     6.4411    -1.3097     2.2700	H	1	noname	0.0257
31	H11     7.2412    -1.7632     0.7460	H	1	noname	0.0257
32	H12     5.9640    -0.5234     0.7460	H	1	noname	0.0257
33	H13     0.6946    -2.0327     6.0183	H	1	noname	0.1062
34	H14     1.0738     2.1967     7.8006	H	1	noname	0.0296
35	H15     1.8520     3.2001     6.5532	H	1	noname	0.0296
36	H16     0.0842     2.9924     6.5532	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	1
2	3	1	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	1
13	7	13	1
14	8	14	2
15	8	15	1
16	9	16	2
17	14	17	1
18	15	18	2
19	15	16	1
20	17	19	2
21	18	20	1
22	18	19	1
23	2	21	1
24	3	22	1
25	5	23	1
26	6	24	1
27	7	25	1
28	9	26	1
29	10	27	1
30	11	28	1
31	12	29	1
32	13	30	1
33	13	31	1
34	13	32	1
35	17	33	1
36	20	34	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1