@<TRIPOS>MOLECULE
DB06877
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0887     1.5366     0.1585	O.2	1	noname	-0.2893
2	C1     2.9057     1.8369    -0.1113	C.2	1	noname	0.0161
3	N1     2.5830     3.1082    -0.3856	N.3	1	noname	-0.0668
4	C2     1.9248     0.8521    -0.1269	C.2	1	noname	-0.0528
5	C3     3.3122     4.1629     0.2010	C.3	1	noname	-0.0057
6	C4     1.5143     3.3913    -1.2607	C.3	1	noname	-0.0057
7	N2     0.6230     1.0482    -0.4011	N.3	1	noname	-0.0120
8	C5     2.1286    -0.4967     0.1384	C.2	1	noname	0.0088
9	C6    -0.0221    -0.1218    -0.3245	C.2	1	noname	-0.0602
10	C7     0.8769    -1.1150     0.0551	C.2	1	noname	-0.0079
11	C8     0.4601    -2.3938     0.5015	C.2	1	noname	0.0457
12	N3    -0.7274    -2.9673     0.2272	N.2	1	noname	-0.3044
13	C9     1.1069    -3.2496     1.3907	C.2	1	noname	0.0242
14	N4    -0.8735    -4.0617     0.9023	N.3	1	noname	-0.0411
15	C10     2.3803    -3.0932     1.9256	C.2	1	noname	-0.0374
16	C11     0.2191    -4.2921     1.6340	C.2	1	noname	-0.0740
17	C12     2.8858    -4.0428     2.8059	C.2	1	noname	-0.0394
18	C13     3.1482    -1.9872     1.5803	C.2	1	noname	-0.0394
19	C14     4.1592    -3.8864     3.3408	C.2	1	noname	-0.0553
20	C15     4.4215    -1.8308     2.1153	C.2	1	noname	-0.0553
21	C16     4.9270    -2.7804     2.9955	C.2	1	noname	-0.0531
22	H1     3.2569     4.0830     1.2867	H	1	noname	0.0399
23	H2     4.3537     4.1044    -0.1151	H	1	noname	0.0399
24	H3     2.8896     5.1166    -0.1151	H	1	noname	0.0399
25	H4     0.6224     3.6276    -0.6805	H	1	noname	0.0399
26	H5     1.7751     4.2429    -1.8891	H	1	noname	0.0399
27	H6     1.3194     2.5223    -1.8891	H	1	noname	0.0399
28	H7     0.1966     1.9350    -0.6290	H	1	noname	0.1523
29	H8     3.0812    -0.9748     0.3666	H	1	noname	0.0651
30	H9    -1.0850    -0.2434    -0.5330	H	1	noname	0.0796
31	H10    -1.7013    -4.6391     0.8646	H	1	noname	0.1747
32	H11     0.3571    -5.1505     2.2914	H	1	noname	0.0813
33	H12     2.2836    -4.9101     3.0766	H	1	noname	0.0629
34	H13     2.7518    -1.2425     0.8901	H	1	noname	0.0629
35	H14     4.5556    -4.6311     4.0311	H	1	noname	0.0622
36	H15     5.0237    -0.9635     1.8445	H	1	noname	0.0622
37	H16     5.9256    -2.6578     3.4150	H	1	noname	0.0622
@<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	1
7	4	8	2
8	7	9	1
9	8	10	1
10	9	10	2
11	10	11	1
12	11	12	2
13	11	13	1
14	12	14	1
15	13	15	1
16	13	16	2
17	14	16	1
18	15	17	2
19	15	18	1
20	17	19	1
21	18	20	2
22	19	21	2
23	20	21	1
24	5	22	1
25	5	23	1
26	5	24	1
27	6	25	1
28	6	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	9	30	1
33	14	31	1
34	16	32	1
35	17	33	1
36	18	34	1
37	19	35	1
38	20	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1