@<TRIPOS>MOLECULE
DB01920
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1104     3.5133    -1.4928	O.2	1	noname	-0.1421
2	N1     2.9645     2.5412    -0.8674	N.2	1	noname	-0.0052
3	O2     3.8283     2.2081    -0.0053	O.3	1	noname	-0.1421
4	C1     1.9100     1.7960    -1.0563	C.2	1	noname	0.0598
5	C2     1.7206     0.5861    -0.2835	C.2	1	noname	0.0812
6	C3     0.9329     2.1634    -2.0245	C.2	1	noname	0.0334
7	O3     2.7814     0.0620     0.4322	O.3	1	noname	-0.2351
8	C4     0.4815    -0.1464    -0.3545	C.2	1	noname	-0.0028
9	C5    -0.2430     1.3590    -2.1671	C.2	1	noname	-0.0453
10	C6     3.6012    -0.9060    -0.3389	C.3	1	noname	0.1923
11	C7    -0.5018     0.2267    -1.3184	C.2	1	noname	-0.0192
12	O4     4.5619    -1.5539     0.5800	O.3	1	noname	-0.3409
13	C8     4.2525    -0.2539    -1.6275	C.3	1	noname	0.1338
14	C9     5.9103    -1.8880     0.1312	C.3	1	noname	0.1124
15	O5     4.4567    -1.2556    -2.6131	O.3	1	noname	-0.3849
16	C10     5.6079     0.3443    -1.2162	C.3	1	noname	0.1134
17	C11     6.5828    -0.7557    -0.7028	C.3	1	noname	0.1112
18	C12     6.7844    -2.2166     1.3432	C.3	1	noname	0.0722
19	O6     5.4081     1.3129    -0.1973	O.3	1	noname	-0.3873
20	O7     7.6152    -0.1528     0.0635	O.3	1	noname	-0.3874
21	O8     6.2301    -3.3224     2.0407	O.3	1	noname	-0.3934
22	H1     1.0826     3.0460    -2.6463	H	1	noname	0.0648
23	H2     0.2884    -0.9811     0.3194	H	1	noname	0.0650
24	H3    -0.9623     1.6161    -2.9446	H	1	noname	0.0623
25	H4     2.9455    -1.7108    -0.6711	H	1	noname	0.0956
26	H5    -1.4289    -0.3399    -1.4044	H	1	noname	0.0623
27	H6     3.6199     0.4812    -2.1250	H	1	noname	0.0682
28	H7     5.7582    -2.7612    -0.5032	H	1	noname	0.0657
29	H8     4.6282    -2.0968    -2.1836	H	1	noname	0.2108
30	H9     6.0416     0.8897    -2.0544	H	1	noname	0.0658
31	H10     7.0712    -1.2085    -1.5656	H	1	noname	0.0657
32	H11     7.7528    -2.5588     0.9782	H	1	noname	0.0591
33	H12     6.7289    -1.3777     2.0370	H	1	noname	0.0591
34	H13     5.2443     0.8693     0.6382	H	1	noname	0.2106
35	H14     7.4261    -0.2633     0.9982	H	1	noname	0.2106
36	H15     6.3044    -3.1741     2.9863	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	2
9	10	7	1
10	8	11	2
11	9	11	1
12	10	12	1
13	10	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	1
18	14	18	1
19	16	19	1
20	16	17	1
21	17	20	1
22	18	21	1
23	6	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	16	30	1
32	17	31	1
33	18	32	1
34	18	33	1
35	19	34	1
36	20	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1