@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441544
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4521    -5.8745     1.4882	O.2	1	noname	-0.2808
2	C1     3.5740    -5.4424     1.1442	C.2	1	noname	0.0648
3	N1     3.7060    -4.1154     0.8643	N.3	1	noname	0.0143
4	C2     4.6970    -6.2994     1.0443	C.2	1	noname	0.0632
5	C3     4.8929    -3.5623     0.4843	C.2	1	noname	-0.0813
6	N2     4.5960    -7.6234     1.3163	N.2	1	noname	-0.2202
7	C4     5.9410    -5.7473     0.6533	C.2	1	noname	0.0265
8	C5     6.0359    -4.3613     0.3703	C.2	1	noname	-0.0154
9	C6     5.6610    -8.4533     1.2254	C.2	1	noname	0.0896
10	C7     7.0349    -6.6333     0.5714	C.2	1	noname	0.0623
11	N3     6.8580    -7.9473     0.8554	N.2	1	noname	-0.2185
12	N4     5.5629    -9.7693     1.4935	N.3	1	noname	-0.0713
13	N5     8.2639    -6.1943     0.2104	N.3	1	noname	-0.2237
14	C8     4.3489   -10.3843     1.8935	C.3	1	noname	-0.0086
15	C9     9.4129    -7.0342     0.1144	C.3	1	noname	0.0296
16	C10    10.6339    -6.2802    -0.4414	C.3	1	noname	0.0672
17	C11     9.9159    -7.4472     1.5065	C.3	1	noname	-0.0307
18	C12    10.3798    -5.5381    -1.5654	C.1	1	noname	0.0647
19	C13    11.1209    -5.4411     0.7505	C.3	1	noname	-0.0350
20	C14    10.7778    -6.2741     1.9956	C.3	1	noname	-0.0497
21	N6    10.1628    -4.9131    -2.5024	N.1	1	noname	-0.1945
22	H1     2.9249    -3.5473     0.9393	H	1	noname	0.1368
23	H2     4.9459    -2.5633     0.2834	H	1	noname	0.0754
24	H3     6.9209    -3.9392     0.0854	H	1	noname	0.0641
25	H4     6.3589   -10.3163     1.4095	H	1	noname	0.1308
26	H5     8.3679    -5.2572    -0.0135	H	1	noname	0.1500
27	H6     4.5228   -11.4483     2.0526	H	1	noname	0.0396
28	H7     3.9918    -9.9382     2.8236	H	1	noname	0.0396
29	H8     3.5928   -10.2583     1.1165	H	1	noname	0.0396
30	H9     9.1979    -7.9122    -0.4985	H	1	noname	0.0556
31	H10    11.4069    -7.0111    -0.6854	H	1	noname	0.0484
32	H11     9.0978    -7.6472     2.1985	H	1	noname	0.0290
33	H12    10.5388    -8.3382     1.4125	H	1	noname	0.0290
34	H13    10.5878    -4.4890     0.8036	H	1	noname	0.0281
35	H14    12.1948    -5.2600     0.6876	H	1	noname	0.0281
36	H15    10.2128    -5.6651     2.7026	H	1	noname	0.0268
37	H16    11.6848    -6.6471     2.4716	H	1	noname	0.0268
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	22	1
6	4	6	2
7	4	7	1
8	5	8	2
9	5	23	1
10	6	9	1
11	7	10	2
12	7	8	1
13	8	24	1
14	9	11	2
15	9	12	1
16	10	13	1
17	10	11	1
18	12	14	1
19	12	25	1
20	13	15	1
21	13	26	1
22	14	27	1
23	14	28	1
24	14	29	1
25	15	16	1
26	15	17	1
27	15	30	1
28	16	18	1
29	16	19	1
30	16	31	1
31	17	20	1
32	17	32	1
33	17	33	1
34	18	21	3
35	19	20	1
36	19	34	1
37	19	35	1
38	20	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1