@<TRIPOS>MOLECULE
DB02644
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.9456    -2.6978    -0.9758	O.2	1	noname	-0.2496
2	C1     5.4198    -2.2894     0.0821	C.2	1	noname	0.1437
3	O2     6.1682    -1.6460     1.0032	O.3	1	noname	-0.2140
4	C2     3.9963    -2.5083     0.3217	C.3	1	noname	0.0913
5	N1     3.8232    -3.3041     1.5358	N.3	1	noname	-0.3194
6	C3     3.2944    -1.1595     0.4915	C.3	1	noname	-0.0271
7	C4     1.8027    -1.3889     0.7425	C.3	1	noname	-0.0380
8	C5     1.1007    -0.0401     0.9123	C.3	1	noname	0.0061
9	N2    -0.2740    -0.2515     1.1436	N.3	1	noname	-0.0867
10	C6    -0.8750     0.9034     1.2890	C.2	1	noname	-0.0556
11	N3    -2.1303     0.9456     1.5086	N.2	1	noname	0.1639
12	N4    -0.1863     2.0149     1.2088	N.3	1	noname	-0.0867
13	C7    -0.2962     2.7244     2.4223	C.3	1	noname	0.0058
14	C8     0.5082     4.0226     2.3286	C.3	1	noname	-0.0429
15	C9     0.3890     4.7925     3.6453	C.3	1	noname	-0.0641
16	H1     5.8773    -1.8961     1.8833	H	1	noname	0.2213
17	H2     3.5939    -3.0748    -0.5181	H	1	noname	0.0571
18	H3     4.6293    -3.5789     2.0787	H	1	noname	0.1191
19	H4     2.8975    -3.5789     1.8318	H	1	noname	0.1191
20	H5     3.6995    -0.7056     1.3959	H	1	noname	0.0288
21	H6     3.3766    -0.6397    -0.4631	H	1	noname	0.0288
22	H7     1.3976    -1.8428    -0.1619	H	1	noname	0.0280
23	H8     1.7205    -1.9088     1.6970	H	1	noname	0.0280
24	H9     1.4779     0.4271     1.8220	H	1	noname	0.0434
25	H10     1.1549     0.4930    -0.0369	H	1	noname	0.0434
26	H11    -0.7710    -1.1290     1.1988	H	1	noname	0.1346
27	H12    -2.5980     1.8366     1.5955	H	1	noname	0.2878
28	H13    -2.6569     0.0882     1.5955	H	1	noname	0.2878
29	H14     0.3266     2.2730     0.3779	H	1	noname	0.1346
30	H15    -1.3512     2.9840     2.5102	H	1	noname	0.0434
31	H16     0.1727     2.0876     3.1723	H	1	noname	0.0434
32	H17     1.5550     3.7373     2.2246	H	1	noname	0.0277
33	H18     0.0311     4.6337     1.5624	H	1	noname	0.0277
34	H19     0.3140     4.0873     4.4731	H	1	noname	0.0231
35	H20     1.2703     5.4194     3.7807	H	1	noname	0.0231
36	H21    -0.5024     5.4194     3.6203	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	2
11	10	12	1
12	12	13	1
13	13	14	1
14	14	15	1
15	3	16	1
16	4	17	1
17	5	18	1
18	5	19	1
19	6	20	1
20	6	21	1
21	7	22	1
22	7	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	11	27	1
27	11	28	1
28	12	29	1
29	13	30	1
30	13	31	1
31	14	32	1
32	14	33	1
33	15	34	1
34	15	35	1
35	15	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1