@<TRIPOS>MOLECULE
DB04608
37 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9346    -1.4569     0.0948	O.2	1	noname	-0.2873
2	C1     1.4301    -0.3234    -0.0573	C.2	1	noname	0.0597
3	N1     1.9670     0.8011    -0.8601	N.3	1	noname	0.0772
4	C2     0.1880     0.1767     0.5161	C.2	1	noname	0.0260
5	C3     0.9270     1.8354    -1.0049	C.2	1	noname	0.0637
6	C4    -0.6887    -0.4845     1.4184	C.2	1	noname	0.0123
7	C5    -0.0572     1.4590     0.0090	C.2	1	noname	0.0422
8	O2     0.8943     2.7991    -1.8004	O.2	1	noname	-0.2868
9	C6    -0.4309    -1.7837     1.8400	C.2	1	noname	-0.0396
10	C7    -1.8382     0.2188     1.8793	C.2	1	noname	-0.0236
11	C8    -1.1859     2.1668     0.4836	C.2	1	noname	0.0033
12	C9    -1.3004    -2.4132     2.7229	C.2	1	noname	-0.0431
13	C10     0.6965    -2.4532     1.3787	C.2	1	noname	-0.0431
14	C11    -2.0377     1.5565     1.4271	C.2	1	noname	-0.0636
15	C12    -1.6957     3.4154     0.2276	C.2	1	noname	-0.0016
16	C13    -1.0426    -3.7124     3.1446	C.2	1	noname	-0.0566
17	C14     0.9543    -3.7524     1.8003	C.2	1	noname	-0.0566
18	N2    -3.0061     2.4280     1.7908	N.3	1	noname	-0.0496
19	C15    -2.8177     3.5618     1.0900	C.2	1	noname	-0.0762
20	C16    -1.2890     4.4350    -0.6840	C.2	1	noname	0.0083
21	C17     0.0847    -4.3820     2.6833	C.2	1	noname	-0.0562
22	C18    -3.5912     4.7478     1.0975	C.2	1	noname	-0.0213
23	C19    -2.0717     5.6227    -0.6821	C.2	1	noname	0.0180
24	C20    -3.2043     5.7765     0.1797	C.2	1	noname	-0.0055
25	O3    -1.7376     6.6313    -1.5149	O.3	1	noname	-0.2840
26	H1     2.8979     0.8544    -1.2484	H	1	noname	0.1407
27	H2    -2.5462    -0.2541     2.5599	H	1	noname	0.0649
28	H3    -2.1845    -1.8882     3.0847	H	1	noname	0.0629
29	H4     1.3784    -1.9595     0.6863	H	1	noname	0.0629
30	H5    -1.7245    -4.2061     3.8369	H	1	noname	0.0622
31	H6     1.8384    -4.2775     1.4386	H	1	noname	0.0622
32	H7    -3.7391     2.2617     2.4655	H	1	noname	0.1528
33	H8    -0.4299     4.3136    -1.3438	H	1	noname	0.0657
34	H9     0.2869    -5.4008     3.0139	H	1	noname	0.0622
35	H10    -4.4387     4.8627     1.7733	H	1	noname	0.0643
36	H11    -3.7852     6.6977     0.1360	H	1	noname	0.0650
37	H12    -1.4829     7.4004    -1.0000	H	1	noname	0.2181
@<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	2
8	5	7	1
9	6	9	1
10	6	10	1
11	7	11	2
12	9	12	2
13	9	13	1
14	10	14	2
15	11	15	1
16	11	14	1
17	12	16	1
18	13	17	2
19	14	18	1
20	15	19	2
21	15	20	1
22	16	21	2
23	17	21	1
24	18	19	1
25	19	22	1
26	20	23	2
27	22	24	2
28	23	25	1
29	23	24	1
30	3	26	1
31	10	27	1
32	12	28	1
33	13	29	1
34	16	30	1
35	17	31	1
36	18	32	1
37	20	33	1
38	21	34	1
39	22	35	1
40	24	36	1
41	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1