@<TRIPOS>MOLECULE
DB02214
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1808    -4.7901     5.3497	O.2	1	noname	-0.2415
2	C1     0.1352    -4.0956     5.2969	C.2	1	noname	0.1845
3	N1     0.0899    -2.7949     4.8181	N.3	1	noname	-0.0739
4	C2    -1.0581    -4.7075     5.7237	C.2	1	noname	0.1798
5	C3    -1.0962    -2.0933     4.8137	C.2	1	noname	0.0921
6	C4     1.2984    -2.2005     4.2778	C.3	1	noname	0.0416
7	O2    -1.0420    -5.8782     6.1675	O.2	1	noname	-0.2433
8	N2    -2.2137    -4.0127     5.6323	N.3	1	noname	-0.0936
9	N3    -1.1980    -0.7969     4.3880	N.2	1	noname	-0.1824
10	C5    -2.3006    -2.7314     5.1969	C.2	1	noname	0.0734
11	C6     1.5185    -2.3864     2.7504	C.3	1	noname	0.0962
12	C7    -2.3919    -0.1668     4.2415	C.2	1	noname	0.1271
13	C8    -3.5377    -2.0453     5.0965	C.2	1	noname	0.1089
14	O3     2.8071    -1.9312     2.3638	O.3	1	noname	-0.3888
15	C9     0.4159    -1.7265     1.8880	C.3	1	noname	0.1093
16	O4    -2.4038     1.0634     3.6958	O.3	1	noname	-0.2170
17	N4    -3.5391    -0.7906     4.5922	N.2	1	noname	-0.1677
18	O5    -4.7273    -2.5661     5.4971	O.3	1	noname	-0.2415
19	O6     0.4591    -2.2701     0.5856	O.3	1	noname	-0.3875
20	C10     0.3933    -0.1780     1.7429	C.3	1	noname	0.1056
21	O7     0.8506     0.5607     2.8874	O.3	1	noname	-0.3878
22	C11    -1.0190     0.2789     1.3720	C.3	1	noname	0.0718
23	O8    -1.0396     1.6926     1.2396	O.3	1	noname	-0.3934
24	H1     1.1663    -1.1321     4.4488	H	1	noname	0.0468
25	H2     2.1036    -2.7372     4.7793	H	1	noname	0.0468
26	H3    -3.0658    -4.4804     5.9067	H	1	noname	0.1378
27	H4     1.5466    -3.4519     2.5223	H	1	noname	0.0642
28	H5     3.3297    -1.7466     3.1476	H	1	noname	0.2106
29	H6    -0.5168    -2.0129     2.3739	H	1	noname	0.0656
30	H7    -2.4102     1.7228     4.3934	H	1	noname	0.2215
31	H8    -4.7631    -2.5817     6.4563	H	1	noname	0.2199
32	H9     0.4573    -3.2286     0.6388	H	1	noname	0.2106
33	H10     1.1429     0.1058     1.0043	H	1	noname	0.0652
34	H11     1.1251    -0.0512     3.5744	H	1	noname	0.2106
35	H12    -1.2500    -0.1095     0.3801	H	1	noname	0.0591
36	H13    -1.6774     0.0559     2.2116	H	1	noname	0.0591
37	H14    -1.0455     2.0956     2.1109	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	8	10	1
12	9	12	1
13	10	13	2
14	11	14	1
15	11	15	1
16	12	16	1
17	12	17	2
18	13	18	1
19	13	17	1
20	15	19	1
21	15	20	1
22	20	21	1
23	20	22	1
24	22	23	1
25	6	24	1
26	6	25	1
27	8	26	1
28	11	27	1
29	14	28	1
30	15	29	1
31	16	30	1
32	18	31	1
33	19	32	1
34	20	33	1
35	21	34	1
36	22	35	1
37	22	36	1
38	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1