@<TRIPOS>MOLECULE
76971113
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8760    -1.4767    -0.3214	S.3	1	noname	-0.1053
2	O1     1.4185    -0.8270     1.4125	O.3	1	noname	-0.2741
3	O2     1.0441     2.3727    -3.0206	O.3	1	noname	-0.2785
4	N1     3.6671     5.1773    -0.8112	N.3	1	noname	-0.3301
5	C1    -3.2806    -1.9211     0.8775	C.3	1	noname	-0.0319
6	C2    -4.4462    -1.3611     1.6954	C.3	1	noname	-0.0493
7	C3    -4.5925    -1.5484     0.1839	C.3	1	noname	-0.0493
8	C4    -2.2473    -0.8179     0.6408	C.3	1	noname	0.0010
9	C5     0.2924    -0.2294    -0.5890	C.2	1	noname	0.0005
10	C6     1.3262    -0.0387     0.3204	C.2	1	noname	0.0044
11	C7     0.1975     0.5822    -1.7135	C.2	1	noname	-0.0034
12	C8     2.1701     1.7751    -1.0191	C.2	1	noname	-0.0177
13	C9     1.1363     1.5844    -1.9285	C.2	1	noname	-0.0114
14	C10     2.2651     0.9635     0.1053	C.2	1	noname	-0.0189
15	C11     3.1562     2.8278    -1.2450	C.3	1	noname	0.0259
16	C12     2.6796     4.1232    -0.5850	C.3	1	noname	-0.0035
17	C13     2.2129    -1.9644     1.1096	C.3	1	noname	0.0423
18	C14     1.7738     1.7880    -4.0893	C.3	1	noname	0.0423
19	H1    -3.0918    -2.9918     0.8000	H	1	noname	0.0311
20	H2    -5.1673    -2.4526    -0.0162	H	1	noname	0.0270
21	H3    -4.5993    -0.6432    -0.4233	H	1	noname	0.0270
22	H4    -4.9515    -2.1764     2.2131	H	1	noname	0.0270
23	H5    -4.5566    -0.2975     1.9065	H	1	noname	0.0270
24	H6    -2.7116     0.0040     0.0960	H	1	noname	0.0386
25	H7    -1.8771    -0.4550     1.5996	H	1	noname	0.0386
26	H8    -0.5612     0.4423    -2.3808	H	1	noname	0.0663
27	H9     3.0237     1.1034     0.7726	H	1	noname	0.0654
28	H10     3.2768     2.9888    -2.3163	H	1	noname	0.0330
29	H11     4.1114     2.5297    -0.8126	H	1	noname	0.0330
30	H12     1.7245     4.4212    -1.0174	H	1	noname	0.0429
31	H13     2.5590     3.9621     0.4863	H	1	noname	0.0429
32	H14     3.3487     6.0426    -0.3703	H	1	noname	0.1184
33	H15     3.7802     5.3283    -1.8156	H	1	noname	0.1184
34	H16     2.2873    -2.6008     1.9913	H	1	noname	0.0535
35	H17     1.7513    -2.5236     0.2958	H	1	noname	0.0535
36	H18     3.2097    -1.6417     0.8091	H	1	noname	0.0535
37	H19     1.6993     2.4245    -4.9711	H	1	noname	0.0535
38	H20     1.3618     0.8045    -4.3153	H	1	noname	0.0535
39	H21     2.8203     1.6864    -3.8020	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	9	1
3	2	10	1
4	2	17	1
5	3	13	1
6	3	18	1
7	4	16	1
8	4	32	1
9	4	33	1
10	5	6	1
11	5	7	1
12	5	8	1
13	5	19	1
14	6	7	1
15	6	22	1
16	6	23	1
17	7	20	1
18	7	21	1
19	8	24	1
20	8	25	1
21	9	10	2
22	9	11	1
23	10	14	1
24	11	13	2
25	11	26	1
26	12	13	1
27	12	14	2
28	12	15	1
29	14	27	1
30	15	16	1
31	15	28	1
32	15	29	1
33	16	30	1
34	16	31	1
35	17	34	1
36	17	35	1
37	17	36	1
38	18	37	1
39	18	38	1
40	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1