@<TRIPOS>MOLECULE
DB02841
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9030     0.0640    -0.7656	O.2	1	noname	-0.2931
2	C1     0.8972    -0.5569    -0.3590	C.2	1	noname	0.0248
3	N1     0.5761    -1.7400    -0.9000	N.3	1	noname	-0.0767
4	C2     0.1118    -0.0201     0.6545	C.2	1	noname	0.0267
5	C3     0.8995    -2.0109    -2.2454	C.3	1	noname	0.0388
6	C4     0.0086     1.3587     0.7974	C.2	1	noname	0.0416
7	C5    -0.5704    -0.8620     1.5250	C.2	1	noname	-0.0026
8	B1    -0.4740    -2.3217    -3.0860	B	1	noname	0.1871
9	O2     0.6711     2.1765    -0.0480	O.3	1	noname	-0.2666
10	C6    -0.7768     1.8955     1.8109	C.2	1	noname	-0.0125
11	C7    -1.3558    -0.3252     2.5384	C.2	1	noname	-0.0393
12	C8    -0.4672    -2.2408     1.3821	C.2	1	noname	-0.0352
13	O3    -1.3992    -1.1050    -3.0190	O.3	1	noname	-0.2876
14	O4    -0.1230    -2.6157    -4.5459	O.3	1	noname	-0.2876
15	C9    -0.1532     2.4693    -1.1666	C.3	1	noname	0.0506
16	C10    -1.4590     1.0536     2.6814	C.2	1	noname	-0.0245
17	C11    -2.0381    -1.1672     3.4090	C.2	1	noname	-0.0486
18	C12    -1.1495    -3.0828     2.2526	C.2	1	noname	-0.0552
19	C13     0.5978     3.3961    -2.1248	C.3	1	noname	-0.0410
20	C14    -1.9349    -2.5460     3.2660	C.2	1	noname	-0.0569
21	H1     0.1031    -2.4093    -0.3098	H	1	noname	0.1306
22	H2     1.3394    -1.0809    -2.6055	H	1	noname	0.0399
23	H3     1.5042    -2.9165    -2.1961	H	1	noname	0.0399
24	H4    -0.8578     2.9767     1.9230	H	1	noname	0.0650
25	H5     0.1486    -2.6617     0.5873	H	1	noname	0.0629
26	H6    -1.5687    -0.8820    -2.1007	H	1	noname	0.1898
27	H7    -0.0902    -3.5654    -4.6821	H	1	noname	0.1898
28	H8    -0.3081     1.5157    -1.6712	H	1	noname	0.0568
29	H9    -1.0049     3.0178    -0.7644	H	1	noname	0.0568
30	H10    -2.0749     1.4745     3.4761	H	1	noname	0.0630
31	H11    -2.6539    -0.7462     4.2037	H	1	noname	0.0629
32	H12    -1.0685    -4.1640     2.1405	H	1	noname	0.0622
33	H13     1.1812     4.1162    -1.5511	H	1	noname	0.0254
34	H14     1.2650     2.8059    -2.7529	H	1	noname	0.0254
35	H15    -0.1180     3.9264    -2.7529	H	1	noname	0.0254
36	H16    -2.4698    -3.2062     3.9486	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	2
6	4	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	2
12	8	13	1
13	8	14	1
14	9	15	1
15	10	16	2
16	11	17	2
17	11	16	1
18	12	18	1
19	15	19	1
20	17	20	1
21	18	20	2
22	3	21	1
23	5	22	1
24	5	23	1
25	10	24	1
26	12	25	1
27	13	26	1
28	14	27	1
29	15	28	1
30	15	29	1
31	16	30	1
32	17	31	1
33	18	32	1
34	19	33	1
35	19	34	1
36	19	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1