@<TRIPOS>MOLECULE
DB02141
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.7989    -1.5415     0.7770	S.3	1	noname	-0.0859
2	C1     7.5665    -2.6959    -0.2070	C.2	1	noname	-0.0563
3	C2     5.0298    -1.5512     0.4449	C.3	1	noname	0.0045
4	N1     8.8291    -2.8574    -0.1339	N.2	1	noname	-0.2623
5	N2     6.8607    -3.4196    -1.0402	N.3	1	noname	-0.1264
6	C3     4.3390    -0.5122     1.3304	C.3	1	noname	0.0101
7	C4     2.9041    -0.5200     1.0610	C.2	1	noname	-0.0635
8	C5     2.3770     0.3089     0.0776	C.2	1	noname	-0.0647
9	C6     2.0650    -1.3564     1.7880	C.2	1	noname	-0.0647
10	C7     1.0109     0.3014    -0.1789	C.2	1	noname	-0.0647
11	C8     0.6989    -1.3639     1.5316	C.2	1	noname	-0.0647
12	C9     0.1718    -0.5350     0.5481	C.2	1	noname	-0.0635
13	C10    -1.2631    -0.5428     0.2787	C.3	1	noname	0.0101
14	C11    -1.5747    -1.5873    -0.7950	C.3	1	noname	0.0045
15	S2    -3.3438    -1.5970    -1.1271	S.3	1	noname	-0.0859
16	C12    -3.6900    -2.7575    -2.3201	C.2	1	noname	-0.0563
17	N3    -4.8914    -2.9325    -2.7096	N.2	1	noname	-0.2623
18	N4    -2.7225    -3.4720    -2.8393	N.3	1	noname	-0.1264
19	H1     4.8485    -1.1936    -0.5687	H	1	noname	0.0388
20	H2     4.6038    -2.4994     0.7726	H	1	noname	0.0388
21	H3     9.1084    -2.8932     0.8361	H	1	noname	0.1893
22	H4     5.9625    -3.0878    -1.3614	H	1	noname	0.1262
23	H5     7.2148    -4.3092    -1.3614	H	1	noname	0.1262
24	H6     4.4515    -0.8348     2.3655	H	1	noname	0.0324
25	H7     4.6961     0.4711     1.0242	H	1	noname	0.0324
26	H8     3.0350     0.9647    -0.4925	H	1	noname	0.0625
27	H9     2.4783    -2.0065     2.5592	H	1	noname	0.0625
28	H10     0.5976     0.9514    -0.9501	H	1	noname	0.0625
29	H11     0.0409    -2.0198     2.1017	H	1	noname	0.0625
30	H12    -1.7398    -0.8687     1.2032	H	1	noname	0.0324
31	H13    -1.4952     0.4372    -0.1381	H	1	noname	0.0324
32	H14    -1.0419    -1.2258    -1.6745	H	1	noname	0.0388
33	H15    -1.2866    -2.5317    -0.3332	H	1	noname	0.0388
34	H16    -5.4965    -3.0206    -1.9057	H	1	noname	0.1893
35	H17    -2.8691    -4.4510    -3.0394	H	1	noname	0.1262
36	H18    -1.8299    -3.0438    -3.0394	H	1	noname	0.1262
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	13	14	1
15	14	15	1
16	15	16	1
17	16	17	2
18	16	18	1
19	3	19	1
20	3	20	1
21	4	21	1
22	5	22	1
23	5	23	1
24	6	24	1
25	6	25	1
26	8	26	1
27	9	27	1
28	10	28	1
29	11	29	1
30	13	30	1
31	13	31	1
32	14	32	1
33	14	33	1
34	17	34	1
35	18	35	1
36	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1