@<TRIPOS>MOLECULE
76967356
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8143    -1.4582    -0.3550	S.3	1	noname	-0.1033
2	O1     1.0884    -0.5110     1.6886	O.3	1	noname	-0.2741
3	O2     1.3833     2.2554    -3.0327	O.3	1	noname	-0.2785
4	N1     3.4180     5.4077    -0.6766	N.3	1	noname	-0.3301
5	C1    -2.3690    -0.8077     0.2773	C.3	1	noname	0.0097
6	C2    -3.3744    -1.9505     0.4328	C.3	1	noname	-0.0399
7	C3    -2.6452    -1.4008     1.6604	C.3	1	noname	-0.0399
8	C4     0.3225    -0.1660    -0.5308	C.2	1	noname	0.0007
9	C5     1.1610     0.1705     0.5255	C.2	1	noname	0.0047
10	C6     0.3973     0.5357    -1.7283	C.2	1	noname	-0.0030
11	C7     2.1492     1.9104    -0.8133	C.2	1	noname	-0.0174
12	C8     1.3107     1.5739    -1.8696	C.2	1	noname	-0.0113
13	C9     2.0744     1.2087     0.3842	C.2	1	noname	-0.0188
14	C10     3.1086     3.0009    -0.9617	C.3	1	noname	0.0260
15	C11     2.4573     4.3157    -0.5280	C.3	1	noname	-0.0035
16	C12     1.9784    -1.6167     1.6457	C.3	1	noname	0.0423
17	C13     2.3243     1.6277    -3.8911	C.3	1	noname	0.0423
18	H1    -2.8242     0.1183    -0.0739	H	1	noname	0.0420
19	H2    -3.3120    -0.7390     2.2130	H	1	noname	0.0278
20	H3    -1.8741    -2.0356     2.0970	H	1	noname	0.0278
21	H4    -4.3876    -1.5498     0.4023	H	1	noname	0.0278
22	H5    -3.0926    -2.9980     0.3254	H	1	noname	0.0278
23	H6    -0.2180     0.2888    -2.5034	H	1	noname	0.0663
24	H7     2.6897     1.4556     1.1593	H	1	noname	0.0654
25	H8     3.4163     3.0747    -2.0047	H	1	noname	0.0330
26	H9     3.9810     2.8047    -0.3385	H	1	noname	0.0330
27	H10     1.5849     4.5120    -1.1512	H	1	noname	0.0429
28	H11     2.1495     4.2420     0.5151	H	1	noname	0.0429
29	H12     2.9829     6.2859    -0.3868	H	1	noname	0.1184
30	H13     3.7065     5.4769    -1.6545	H	1	noname	0.1184
31	H14     1.9197    -2.1670     2.5848	H	1	noname	0.0535
32	H15     1.7017    -2.2741     0.8215	H	1	noname	0.0535
33	H16     2.9969    -1.2577     1.4979	H	1	noname	0.0535
34	H17     2.3829     2.1780    -4.8302	H	1	noname	0.0535
35	H18     2.0085     0.6035    -4.0893	H	1	noname	0.0535
36	H19     3.3037     1.6198    -3.4128	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	5	1
2	1	8	1
3	2	9	1
4	2	16	1
5	3	12	1
6	3	17	1
7	4	15	1
8	4	29	1
9	4	30	1
10	5	6	1
11	5	7	1
12	5	18	1
13	6	7	1
14	6	21	1
15	6	22	1
16	7	19	1
17	7	20	1
18	8	9	2
19	8	10	1
20	9	13	1
21	10	12	2
22	10	23	1
23	11	12	1
24	11	13	2
25	11	14	1
26	13	24	1
27	14	15	1
28	14	25	1
29	14	26	1
30	15	27	1
31	15	28	1
32	16	31	1
33	16	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1