@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443662
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    30.3056    -8.6675     0.6050	O.3	1	noname	-0.3199
2	C1    31.6206    -8.3895     0.7060	C.2	1	noname	0.1562
3	C2    29.7065    -7.4594     0.6260	C.2	1	noname	0.1127
4	N1    31.8025    -7.0644     0.7840	N.2	1	noname	-0.1360
5	N2    32.6166    -9.2935     0.7280	N.3	1	noname	-0.0425
6	N3    30.6405    -6.4993     0.7350	N.2	1	noname	-0.1262
7	C3    28.3234    -7.2324     0.5481	C.2	1	noname	0.0057
8	C4    32.3745   -10.6895     0.6351	C.3	1	noname	0.0285
9	C5    27.2983    -8.1703     0.4421	C.2	1	noname	0.0020
10	C6    27.6893    -5.9883     0.5631	C.2	1	noname	-0.0618
11	C7    33.6485   -11.4304     0.6811	C.2	1	noname	-0.0486
12	C8    26.0952    -7.4693     0.3981	C.2	1	noname	0.0650
13	C9    27.2863    -9.5743     0.3801	C.2	1	noname	-0.0246
14	N4    26.3582    -6.1583     0.4721	N.3	1	noname	-0.0017
15	C10    34.6085   -11.2484    -0.3357	C.2	1	noname	-0.0531
16	C11    33.9244   -12.3294     1.7322	C.2	1	noname	-0.0531
17	N5    24.9072    -8.1113     0.2961	N.2	1	noname	-0.2522
18	C12    26.0452   -10.2313     0.2751	C.2	1	noname	-0.0520
19	C13    35.8265   -11.9484    -0.2997	C.2	1	noname	-0.0594
20	C14    35.1414   -13.0304     1.7693	C.2	1	noname	-0.0594
21	C15    24.8581    -9.4703     0.2342	C.2	1	noname	-0.0029
22	C16    36.0934   -12.8383     0.7533	C.2	1	noname	-0.0613
23	H1    33.5305    -8.9764     0.8090	H	1	noname	0.1321
24	H2    31.8664   -10.9134    -0.3048	H	1	noname	0.0483
25	H3    31.7254   -10.9934     1.4601	H	1	noname	0.0483
26	H4    28.1603    -5.0842     0.6321	H	1	noname	0.0797
27	H5    28.1532   -10.1103     0.4102	H	1	noname	0.0630
28	H6    25.6962    -5.4492     0.4612	H	1	noname	0.1537
29	H7    34.4204   -10.6033    -1.1047	H	1	noname	0.0626
30	H8    33.2394   -12.4734     2.4753	H	1	noname	0.0626
31	H9    26.0041   -11.2493     0.2292	H	1	noname	0.0639
32	H10    36.5164   -11.8093    -1.0377	H	1	noname	0.0622
33	H11    35.3344   -13.6774     2.5333	H	1	noname	0.0622
34	H12    23.9560    -9.9412     0.1582	H	1	noname	0.0839
35	H13    36.9784   -13.3463     0.7813	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	5	8	1
9	5	23	1
10	7	9	1
11	7	10	2
12	8	11	1
13	8	24	1
14	8	25	1
15	9	12	2
16	9	13	1
17	10	14	1
18	10	26	1
19	11	15	2
20	11	16	1
21	12	17	1
22	12	14	1
23	13	18	2
24	13	27	1
25	14	28	1
26	15	19	1
27	15	29	1
28	16	20	2
29	16	30	1
30	17	21	2
31	18	21	1
32	18	31	1
33	19	22	2
34	19	32	1
35	20	22	1
36	20	33	1
37	21	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1