@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439057
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    22.4552    -1.6743    -1.0572	N.2	1	noname	-0.2482
2	C1    21.1761    -1.6072    -0.5901	C.2	1	noname	0.0096
3	C2    23.5462    -1.2322    -0.3871	C.2	1	noname	-0.0013
4	C3    20.1130    -2.1152    -1.3991	C.2	1	noname	-0.0302
5	C4    20.9921    -1.0312     0.6878	C.2	1	noname	-0.0197
6	C5    23.4001    -0.6581     0.8868	C.2	1	noname	-0.0259
7	C6    20.4070    -2.8002    -2.6041	C.2	1	noname	-0.0353
8	C7    18.7460    -1.9652    -1.0521	C.2	1	noname	-0.0353
9	C8    22.0980    -0.5601     1.4129	C.2	1	noname	-0.0389
10	C9    24.5701    -0.1631     1.6449	C.3	1	noname	0.0507
11	C10    19.3879    -3.3152    -3.4231	C.2	1	noname	-0.0535
12	C11    17.7239    -2.4791    -1.8681	C.2	1	noname	-0.0535
13	C12    24.8060    -0.9241     2.8909	C.2	1	noname	-0.0230
14	C13    18.0439    -3.1551    -3.0550	C.2	1	noname	-0.0530
15	C14    24.6690    -0.3120     4.1520	C.2	1	noname	-0.0141
16	C15    25.1870    -2.2800     2.8540	C.2	1	noname	-0.0476
17	N2    24.8919    -1.0260     5.2831	N.2	1	noname	-0.2581
18	C16    25.4120    -3.0030     4.0401	C.2	1	noname	-0.0257
19	C17    25.2529    -2.3330     5.2661	C.2	1	noname	-0.0161
20	C18    25.8019    -4.4210     4.0161	C.3	1	noname	0.0068
21	H1    24.4702    -1.3201    -0.8111	H	1	noname	0.0842
22	H2    20.0660    -0.9511     1.1069	H	1	noname	0.0645
23	H3    21.3750    -2.9341    -2.8991	H	1	noname	0.0629
24	H4    18.4719    -1.4751    -0.2020	H	1	noname	0.0629
25	H5    21.9530    -0.1460     2.3339	H	1	noname	0.0626
26	H6    24.4040     0.8929     1.8709	H	1	noname	0.0366
27	H7    25.4721    -0.2261     1.0329	H	1	noname	0.0366
28	H8    19.6259    -3.8051    -4.2860	H	1	noname	0.0622
29	H9    16.7469    -2.3591    -1.5990	H	1	noname	0.0622
30	H10    17.3028    -3.5291    -3.6480	H	1	noname	0.0622
31	H11    24.3979     0.6690     4.2210	H	1	noname	0.0842
32	H12    25.2970    -2.7460     1.9520	H	1	noname	0.0629
33	H13    25.4079    -2.8259     6.1462	H	1	noname	0.0841
34	H14    25.8808    -4.7900     2.9921	H	1	noname	0.0280
35	H15    26.7679    -4.5430     4.5081	H	1	noname	0.0280
36	H16    25.0548    -5.0140     4.5451	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	3	21	1
7	4	7	2
8	4	8	1
9	5	9	2
10	5	22	1
11	6	10	1
12	6	9	1
13	7	11	1
14	7	23	1
15	8	12	2
16	8	24	1
17	9	25	1
18	10	13	1
19	10	26	1
20	10	27	1
21	11	14	2
22	11	28	1
23	12	14	1
24	12	29	1
25	13	15	2
26	13	16	1
27	14	30	1
28	15	17	1
29	15	31	1
30	16	18	2
31	16	32	1
32	17	19	2
33	18	20	1
34	18	19	1
35	19	33	1
36	20	34	1
37	20	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1