@<TRIPOS>MOLECULE
DB04671
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.7698    -1.7399    -0.0394	S.3	1	noname	-0.0834
2	C1     2.4089    -0.1059    -0.3387	C.2	1	noname	-0.0520
3	C2     1.2498    -2.7039    -0.0616	C.3	1	noname	0.0253
4	N1     3.1396     0.8107     0.1630	N.2	1	noname	-0.2608
5	N2     1.3800     0.2116    -1.0848	N.3	1	noname	-0.1159
6	C3     1.5746    -4.1746     0.2078	C.3	1	noname	0.1008
7	C4     1.2878     1.6150    -1.1857	C.3	1	noname	0.0022
8	N3     0.3401    -4.9575     0.1897	N.3	1	noname	-0.3187
9	C5     2.2118    -4.3006     1.5154	C.2	1	noname	0.1441
10	C6     0.0861     1.9858    -2.0571	C.3	1	noname	-0.0332
11	O1     3.3638    -4.7772     1.6060	O.2	1	noname	-0.2493
12	O2     1.5567    -3.9024     2.6266	O.3	1	noname	-0.2138
13	C7    -0.0140     3.5086    -2.1665	C.3	1	noname	0.0095
14	C8    -1.2156     3.8795    -3.0380	C.3	1	noname	0.0855
15	N4    -1.3112     5.3346    -3.1425	N.4	1	noname	-0.0002
16	C9    -2.4361     3.3538    -2.4332	C.2	1	noname	0.1658
17	O3    -3.1453     2.5398    -3.0633	O.2	1	noname	-0.2331
18	O4    -2.7985     3.7467    -1.1936	O.3	1	noname	-0.2012
19	H1     0.6240    -2.4150     0.7827	H	1	noname	0.0406
20	H2     0.8366    -2.7075    -1.0703	H	1	noname	0.0406
21	H3     3.0989     0.7597     1.1709	H	1	noname	0.1893
22	H4     0.7784    -0.4858    -1.4993	H	1	noname	0.1301
23	H5     2.2514    -4.5867    -0.5408	H	1	noname	0.0580
24	H6     1.0932     1.9649    -0.1719	H	1	noname	0.0432
25	H7     2.1936     1.9270    -1.7055	H	1	noname	0.0432
26	H8    -0.5548    -4.4893     0.1835	H	1	noname	0.1192
27	H9     0.3822    -5.9666     0.1835	H	1	noname	0.1192
28	H10     0.2965     1.6115    -3.0590	H	1	noname	0.0282
29	H11    -0.8039     1.6494    -1.5254	H	1	noname	0.0282
30	H12     1.2659    -4.6729     3.1200	H	1	noname	0.2213
31	H13    -0.2244     3.8829    -1.1647	H	1	noname	0.0342
32	H14     0.8761     3.8451    -2.6983	H	1	noname	0.0342
33	H15    -1.1317     3.4696    -4.0445	H	1	noname	0.1091
34	H16    -1.3377     5.7376    -2.2168	H	1	noname	0.2560
35	H17    -0.5081     5.6898    -3.6415	H	1	noname	0.2560
36	H18    -2.1539     5.5816    -3.6415	H	1	noname	0.2560
37	H19    -2.9584     2.9739    -0.6469	H	1	noname	0.2215
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	9	11	2
11	9	12	1
12	10	13	1
13	13	14	1
14	14	15	1
15	14	16	1
16	16	17	2
17	16	18	1
18	3	19	1
19	3	20	1
20	4	21	1
21	5	22	1
22	6	23	1
23	7	24	1
24	7	25	1
25	8	26	1
26	8	27	1
27	10	28	1
28	10	29	1
29	12	30	1
30	13	31	1
31	13	32	1
32	14	33	1
33	15	34	1
34	15	35	1
35	15	36	1
36	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1