@<TRIPOS>MOLECULE
DB06861
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.5035     2.0910     1.7158	O.2	1	noname	-0.3051
2	C1    -0.6054     2.0805     0.5001	C.2	1	noname	0.1253
3	C2     0.5826     1.6518    -0.3635	C.3	1	noname	0.0198
4	C3     0.1905     0.4361    -1.2016	C.3	1	noname	-0.0058
5	C4     0.9554     2.7272    -1.2291	C.3	1	noname	-0.0434
6	C5    -0.2137    -0.7324    -0.3200	C.3	1	noname	0.0576
7	C6     1.3369    -0.1520    -2.0204	C.3	1	noname	-0.0472
8	C7     1.3481     3.9447    -0.3898	C.3	1	noname	-0.0522
9	O2    -1.5113    -0.5005     0.2080	O.3	1	noname	-0.3927
10	C8    -0.2767    -1.8647    -1.3522	C.3	1	noname	-0.0267
11	C9     0.8359    -1.5625    -2.3637	C.3	1	noname	-0.0504
12	C10     1.7470     5.0954    -1.3159	C.3	1	noname	-0.0467
13	C11     2.1397     6.3129    -0.4766	C.3	1	noname	-0.0009
14	C12     2.5126     7.3884    -1.3422	C.2	1	noname	-0.0860
15	N1     2.8776     8.5061    -0.8493	N.2	1	noname	-0.2832
16	N2     2.4791     7.2251    -2.6415	N.3	1	noname	-0.1453
17	H1    -1.6089     2.4059     0.2261	H	1	noname	0.1044
18	H2     1.4606     1.4419     0.2474	H	1	noname	0.0383
19	H3    -0.6092     0.8175    -1.8366	H	1	noname	0.0336
20	H4     1.8444     2.3833    -1.7577	H	1	noname	0.0274
21	H5     0.0538     2.9808    -1.7866	H	1	noname	0.0274
22	H6     0.3978    -0.9039     0.5659	H	1	noname	0.0603
23	H7     1.4148     0.4162    -2.9474	H	1	noname	0.0270
24	H8     2.2032    -0.2487    -1.3660	H	1	noname	0.0270
25	H9     0.4509     4.2641     0.1404	H	1	noname	0.0267
26	H10     2.2415     3.6666     0.1693	H	1	noname	0.0267
27	H11    -1.4725    -0.5074     1.1671	H	1	noname	0.2104
28	H12    -0.0149    -2.7913    -0.8412	H	1	noname	0.0293
29	H13    -1.2294    -1.7812    -1.8752	H	1	noname	0.0293
30	H14     0.3787    -1.5183    -3.3522	H	1	noname	0.0267
31	H15     1.6528    -2.2581    -2.1717	H	1	noname	0.0267
32	H16     2.6443     4.7761    -1.8461	H	1	noname	0.0271
33	H17     0.8536     5.3736    -1.8750	H	1	noname	0.0271
34	H18     1.2507     6.6569     0.0520	H	1	noname	0.0342
35	H19     3.0414     6.0594     0.0809	H	1	noname	0.0342
36	H20     2.8597     8.4514     0.1591	H	1	noname	0.1884
37	H21     1.5918     7.1622    -3.1199	H	1	noname	0.1254
38	H22     3.3406     7.1622    -3.1650	H	1	noname	0.1254
@<TRIPOS>BOND
1	1	2	2
2	3	2	1
3	3	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	8	12	1
12	10	11	1
13	12	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	2	17	1
18	3	18	1
19	4	19	1
20	5	20	1
21	5	21	1
22	6	22	1
23	7	23	1
24	7	24	1
25	8	25	1
26	8	26	1
27	9	27	1
28	10	28	1
29	10	29	1
30	11	30	1
31	11	31	1
32	12	32	1
33	12	33	1
34	13	34	1
35	13	35	1
36	15	36	1
37	16	37	1
38	16	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1