@<TRIPOS>MOLECULE
76956651
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.8793    -1.9383    -2.2448	S	1	noname	-0.0641
2	O1    -4.0787    -3.3121    -2.2416	O.2	1	noname	-0.1928
3	O2    -4.1595    -0.9033    -1.2760	O.2	1	noname	-0.1928
4	N1    -6.4649    -5.4140     2.9287	N.3	1	noname	-0.0797
5	N2    -5.8005    -8.8619     2.2489	N.3	1	noname	-0.3110
6	N3    -4.9156    -1.2951    -3.8525	N.3	1	noname	-0.0004
7	C1    -6.5182    -6.5311     0.9384	C.2	1	noname	-0.0261
8	C2    -6.5671    -6.6250     2.3353	C.2	1	noname	-0.1125
9	C3    -6.5169    -5.1634     0.6794	C.2	1	noname	-0.0275
10	C4    -6.4175    -7.6851     0.0026	C.3	1	noname	0.0255
11	C5    -6.4550    -4.5156     1.9333	C.2	1	noname	-0.0870
12	C6    -6.7117    -7.9397     2.9867	C.3	1	noname	0.0340
13	C7    -6.0242    -8.9962     0.7664	C.3	1	noname	-0.0003
14	C8    -6.5739    -4.4469    -0.5467	C.2	1	noname	-0.0294
15	C9    -6.5337    -3.0226    -0.4529	C.2	1	noname	-0.0386
16	C10    -6.4300    -3.0954     2.0456	C.2	1	noname	-0.0408
17	C11    -6.5625    -2.2234    -1.6745	C.3	1	noname	0.0964
18	C12    -6.4652    -2.3589     0.8248	C.2	1	noname	-0.0409
19	C13    -3.5478    -1.1135    -4.3358	C.3	1	noname	0.0016
20	H1    -7.3740    -7.8302    -0.4996	H	1	noname	0.0329
21	H2    -5.6885    -7.4188    -0.7628	H	1	noname	0.0329
22	H3    -7.7403    -8.2854     2.8830	H	1	noname	0.0492
23	H4    -6.5072    -7.8696     4.0551	H	1	noname	0.0492
24	H5    -6.7749    -9.7642     0.5803	H	1	noname	0.0431
25	H6    -5.1232    -9.4088     0.3124	H	1	noname	0.0431
26	H7    -6.4099    -5.2325     3.8800	H	1	noname	0.1525
27	H8    -5.8277    -9.7868     2.6827	H	1	noname	0.1226
28	H9    -6.6399    -4.9245    -1.4455	H	1	noname	0.0633
29	H10    -6.3890    -2.6296     2.9521	H	1	noname	0.0642
30	H11    -7.1216    -2.7559    -2.4439	H	1	noname	0.0528
31	H12    -7.0443    -1.2670    -1.4716	H	1	noname	0.0528
32	H13    -6.4414    -1.3396     0.8565	H	1	noname	0.0626
33	H14    -5.3978    -0.3940    -3.8481	H	1	noname	0.1435
34	H15    -3.5707    -0.7086    -5.3476	H	1	noname	0.0405
35	H16    -3.0335    -2.0745    -4.3405	H	1	noname	0.0405
36	H17    -3.0194    -0.4218    -3.6796	H	1	noname	0.0405
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	6	1
4	1	17	1
5	4	8	1
6	4	11	1
7	4	26	1
8	5	12	1
9	5	13	1
10	5	27	1
11	6	19	1
12	6	33	1
13	7	8	2
14	7	9	1
15	7	10	1
16	8	12	1
17	9	11	2
18	9	14	1
19	10	13	1
20	10	20	1
21	10	21	1
22	11	16	1
23	12	22	1
24	12	23	1
25	13	24	1
26	13	25	1
27	14	15	2
28	14	28	1
29	15	17	1
30	15	18	1
31	16	18	2
32	16	29	1
33	17	30	1
34	17	31	1
35	18	32	1
36	19	34	1
37	19	35	1
38	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1