@<TRIPOS>MOLECULE
119057602
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.0680     1.2775    -0.4005	S.3	1	noname	-0.0972
2	O1     0.9537     2.0190     2.8054	O.2	1	noname	-0.2829
3	O2     3.1500     0.4448    -1.6546	O.2	1	noname	-0.2830
4	N1     1.9736    -0.1263     0.2863	N.3	1	noname	-0.0454
5	N2     1.9097     2.4993     0.7410	N.3	1	noname	-0.0456
6	C1     0.7987     0.3756     1.0203	C.3	1	noname	0.1541
7	C2     1.7150     2.0663    -0.6469	C.3	1	noname	0.1472
8	C3     1.2444     1.6678     1.6353	C.2	1	noname	0.0637
9	C4     2.3351     0.7243    -0.7474	C.2	1	noname	0.0635
10	C5    -0.1104    -0.5649     1.8511	C.3	1	noname	0.0094
11	C6     1.8782     3.0939    -1.8018	C.3	1	noname	-0.0279
12	C7     2.8972    -1.1745     0.6738	C.3	1	noname	-0.0037
13	C8     2.7102     3.6266     1.1779	C.3	1	noname	-0.0037
14	C9    -0.9889    -1.4523     1.0154	C.2	1	noname	-0.0536
15	C10    -2.4081    -1.4199     1.1435	C.2	1	noname	-0.0564
16	C11    -0.4386    -2.3423     0.0549	C.2	1	noname	-0.0564
17	C12    -3.2134    -2.2527     0.3464	C.2	1	noname	-0.0603
18	C13    -1.2455    -3.1991    -0.7111	C.2	1	noname	-0.0603
19	C14    -2.6455    -3.1408    -0.5740	C.2	1	noname	-0.0616
20	H1    -0.7024     0.0377     2.5392	H	1	noname	0.0349
21	H2     0.5290    -1.1748     2.4867	H	1	noname	0.0349
22	H3     2.9458     3.2913    -1.9743	H	1	noname	0.0263
23	H4     1.3971     4.0470    -1.5264	H	1	noname	0.0263
24	H5     1.4297     2.7352    -2.7348	H	1	noname	0.0263
25	H6     2.4941    -2.1813     0.7303	H	1	noname	0.0399
26	H7     3.3625    -0.9154     1.6248	H	1	noname	0.0399
27	H8     3.6884    -1.1920    -0.0757	H	1	noname	0.0399
28	H9     2.3212     4.5425     0.7332	H	1	noname	0.0399
29	H10     2.6671     3.7034     2.2644	H	1	noname	0.0399
30	H11     3.7440     3.4812     0.8647	H	1	noname	0.0399
31	H12    -2.8483    -0.7875     1.8167	H	1	noname	0.0625
32	H13     0.5497    -2.3963    -0.1333	H	1	noname	0.0625
33	H14    -4.2365    -2.1907     0.4310	H	1	noname	0.0622
34	H15    -0.8107    -3.8469    -1.3682	H	1	noname	0.0622
35	H16    -3.2222    -3.7392    -1.1637	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	8	2
4	3	9	2
5	4	6	1
6	4	9	1
7	4	12	1
8	5	7	1
9	5	8	1
10	5	13	1
11	6	8	1
12	6	10	1
13	7	9	1
14	7	11	1
15	10	14	1
16	10	20	1
17	10	21	1
18	11	22	1
19	11	23	1
20	11	24	1
21	12	25	1
22	12	26	1
23	12	27	1
24	13	28	1
25	13	29	1
26	13	30	1
27	14	15	2
28	14	16	1
29	15	17	1
30	15	31	1
31	16	18	2
32	16	32	1
33	17	19	2
34	17	33	1
35	18	19	1
36	18	34	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1