@<TRIPOS>MOLECULE
DB01423
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.6773     0.6655     0.1534	S.3	1	noname	-0.1839
2	C1     1.6217    -0.7258    -0.3998	C.2	1	noname	0.0527
3	C2    -0.9491     0.3337    -0.4540	C.2	1	noname	0.0327
4	C3     2.9688    -1.0181    -0.2211	C.2	1	noname	0.1125
5	C4     0.6267    -1.4475    -1.0680	C.2	1	noname	0.0138
6	C5    -0.6774    -0.8929    -1.0857	C.2	1	noname	-0.0134
7	S2     4.1205     0.2646    -0.0760	S.3	1	noname	-0.0155
8	O1     3.3481    -2.2079    -0.1653	O.2	1	noname	-0.2767
9	C6     5.7668    -0.4291     0.1441	C.3	1	noname	0.0834
10	C7     5.7942    -1.2850     1.4120	C.2	1	noname	0.0466
11	C8     6.7387     0.6535     0.2666	C.3	1	noname	-0.0444
12	O2     6.0775    -2.5004     1.3396	O.2	1	noname	-0.2917
13	N1     5.5146    -0.7319     2.6000	N.3	1	noname	-0.0691
14	C9     5.5399    -1.5207     3.7684	C.3	1	noname	0.0888
15	C10     5.2027    -0.6922     4.9223	C.2	1	noname	0.1423
16	O3     5.1674    -1.1970     6.0653	O.2	1	noname	-0.2506
17	O4     4.9291     0.6192     4.7549	O.3	1	noname	-0.2148
18	H1    -1.9350     0.7985    -0.4413	H	1	noname	0.0739
19	H2     0.8566    -2.3968    -1.5519	H	1	noname	0.0639
20	H3    -1.4856    -1.4188    -1.5940	H	1	noname	0.0631
21	H4     6.2012    -1.0471    -0.6417	H	1	noname	0.0514
22	H5     6.9230     0.8587     1.3211	H	1	noname	0.0247
23	H6     7.6716     0.3604    -0.2149	H	1	noname	0.0247
24	H7     6.3471     1.5495    -0.2149	H	1	noname	0.0247
25	H8     5.2908     0.2529     2.6144	H	1	noname	0.1316
26	H9     4.7456    -2.2583     3.6540	H	1	noname	0.0541
27	H10     6.5726    -1.8466     3.8924	H	1	noname	0.0541
28	H11     4.8413     1.0399     5.6133	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	4	7	1
7	4	8	2
8	5	6	1
9	9	7	1
10	9	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	13	14	1
15	14	15	1
16	15	16	2
17	15	17	1
18	3	18	1
19	5	19	1
20	6	20	1
21	9	21	1
22	11	22	1
23	11	23	1
24	11	24	1
25	13	25	1
26	14	26	1
27	14	27	1
28	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1