@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440891
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.0385   -10.6810    -0.0865	N.2	1	noname	-0.2726
2	N2     2.2325   -11.1419    -0.3554	N.3	1	noname	-0.0314
3	C1     0.0534   -11.5189     0.3265	C.2	1	noname	0.0543
4	C2     2.5774   -12.4320    -0.2484	C.2	1	noname	-0.0094
5	C3     3.3314   -10.5009    -0.7714	C.2	1	noname	0.0123
6	N3    -1.1636   -11.0309     0.5996	N.3	1	noname	-0.1106
7	C4     0.3354   -12.8929     0.4605	C.2	1	noname	0.0259
8	N4     3.8654   -12.5849    -0.5874	N.2	1	noname	-0.1625
9	C5     1.6263   -13.3699     0.1685	C.2	1	noname	0.0320
10	N5     4.3174   -11.4089    -0.9034	N.2	1	noname	-0.1657
11	C6     3.4564    -9.0628    -1.0404	C.3	1	noname	0.0775
12	C7     2.6013    -8.6328    -2.1674	C.2	1	noname	-0.0492
13	C8     2.8583    -9.0967    -3.4754	C.2	1	noname	-0.0334
14	C9     1.5282    -7.7437    -1.9513	C.2	1	noname	-0.0453
15	C10     2.0522    -8.6827    -4.5534	C.2	1	noname	0.0059
16	C11     0.7182    -7.3246    -3.0203	C.2	1	noname	-0.0146
17	C12     0.9751    -7.7896    -4.3213	C.2	1	noname	0.0274
18	C13     2.2802    -9.1266    -5.8704	C.2	1	noname	-0.0309
19	N6     0.1981    -7.3876    -5.3583	N.2	1	noname	-0.2488
20	C14     1.4551    -8.6876    -6.9183	C.2	1	noname	-0.0328
21	C15     0.4020    -7.8035    -6.6333	C.2	1	noname	-0.0065
22	H1    -1.3336   -10.0808     0.4996	H	1	noname	0.1258
23	H2    -1.8727   -11.6229     0.8946	H	1	noname	0.1258
24	H3    -0.3906   -13.5419     0.7676	H	1	noname	0.0657
25	H4     1.8603   -14.3589     0.2566	H	1	noname	0.0661
26	H5     4.4964    -8.8317    -1.2773	H	1	noname	0.0397
27	H6     3.1903    -8.5267    -0.1273	H	1	noname	0.0397
28	H7     3.6373    -9.7377    -3.6363	H	1	noname	0.0632
29	H8     1.3322    -7.3996    -1.0102	H	1	noname	0.0626
30	H9    -0.0558    -6.6816    -2.8502	H	1	noname	0.0645
31	H10     3.0471    -9.7696    -6.0733	H	1	noname	0.0630
32	H11     1.6180    -9.0065    -7.8733	H	1	noname	0.0638
33	H12    -0.2079    -7.4745    -7.3823	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	2
10	5	11	1
11	6	22	1
12	6	23	1
13	7	9	2
14	7	24	1
15	8	10	1
16	9	25	1
17	11	12	1
18	11	26	1
19	11	27	1
20	12	13	2
21	12	14	1
22	13	15	1
23	13	28	1
24	14	16	2
25	14	29	1
26	15	17	1
27	15	18	2
28	16	17	1
29	16	30	1
30	17	19	2
31	18	20	1
32	18	31	1
33	19	21	1
34	20	21	2
35	20	32	1
36	21	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1