@<TRIPOS>MOLECULE
DB06413
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1550    -2.0220     1.3485	S.2	1	noname	0.1628
2	O1    -0.1234    -3.4925     0.7445	O.2	1	noname	-0.3077
3	C1    -0.8505    -0.8896     0.1344	C.3	1	noname	0.0681
4	C2     1.5197    -1.5061     1.7598	C.3	1	noname	0.0808
5	C3    -0.0272    -0.9029    -1.0713	C.2	1	noname	-0.0485
6	C4    -0.8796     0.4607     0.6890	C.2	1	noname	-0.0485
7	C5     2.0839    -2.4246     2.7445	C.2	1	noname	0.0361
8	C6     1.3354    -1.1618    -0.9795	C.2	1	noname	-0.0531
9	C7    -0.6060    -0.6568    -2.3108	C.2	1	noname	-0.0531
10	C8    -1.6050     0.7215     1.8456	C.2	1	noname	-0.0531
11	C9    -0.1819     1.4854     0.0602	C.2	1	noname	-0.0531
12	O2     3.1207    -3.0691     2.4760	O.2	1	noname	-0.2961
13	N1     1.4901    -2.5768     3.9361	N.3	1	noname	-0.0887
14	C10     2.1192    -1.1745    -2.1274	C.2	1	noname	-0.0595
15	C11     0.1778    -0.6695    -3.4587	C.2	1	noname	-0.0595
16	C12    -1.6326     2.0070     2.3736	C.2	1	noname	-0.0595
17	C13    -0.2096     2.7709     0.5882	C.2	1	noname	-0.0595
18	C14     1.5404    -0.9283    -3.3670	C.2	1	noname	-0.0614
19	C15    -0.9349     3.0317     1.7449	C.2	1	noname	-0.0614
20	H1    -1.8619    -1.0285    -0.2478	H	1	noname	0.0483
21	H2     2.1753    -1.6351     0.8986	H	1	noname	0.0442
22	H3     1.5004    -0.5553     2.2924	H	1	noname	0.0442
23	H4     1.7892    -1.3548    -0.0075	H	1	noname	0.0625
24	H5    -1.6745    -0.4538    -2.3827	H	1	noname	0.0625
25	H6    -2.1521    -0.0821     2.3387	H	1	noname	0.0625
26	H7     0.3869     1.2809    -0.8468	H	1	noname	0.0625
27	H8     2.0493    -2.6341     4.7753	H	1	noname	0.1271
28	H9     0.4835    -2.6341     3.9951	H	1	noname	0.1271
29	H10     3.1877    -1.3774    -2.0555	H	1	noname	0.0622
30	H11    -0.2761    -0.4765    -4.4307	H	1	noname	0.0622
31	H12    -2.2014     2.2115     3.2807	H	1	noname	0.0622
32	H13     0.3375     3.5745     0.0952	H	1	noname	0.0622
33	H14     2.1551    -0.9383    -4.2671	H	1	noname	0.0622
34	H15    -0.9566     4.0398     2.1589	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	2
12	7	13	1
13	8	14	1
14	9	15	2
15	10	16	1
16	11	17	2
17	14	18	2
18	15	18	1
19	16	19	2
20	17	19	1
21	3	20	1
22	4	21	1
23	4	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	13	27	1
29	13	28	1
30	14	29	1
31	15	30	1
32	16	31	1
33	17	32	1
34	18	33	1
35	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1