@<TRIPOS>MOLECULE
72710763
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9088    -6.1854    -0.4375	O.3	1	noname	-0.3786
2	O2    -3.9773    -1.6446     3.3282	O.2	1	noname	-0.2577
3	N1    -1.2490    -4.7518     0.5972	N.3	1	noname	-0.0917
4	N2    -5.2599    -3.5319     2.9486	N.3	1	noname	-0.1383
5	N3    -6.5064    -3.8507     3.1219	N.3	1	noname	-0.0074
6	N4    -2.5187    -6.3259     1.7581	N.2	1	noname	-0.2331
7	N5    -4.4830    -5.7272     2.7682	N.2	1	noname	-0.2276
8	N6    -6.5360    -0.4811     4.2131	N.3	1	noname	0.0397
9	N7    -7.7185     0.0419     4.3039	N.2	1	noname	-0.2052
10	N8    -7.6463     1.2414     4.7818	N.2	1	noname	-0.1580
11	C1     0.0251    -4.3086     1.1136	C.3	1	noname	0.0281
12	C2    -1.3997    -5.1376    -0.7767	C.3	1	noname	0.0281
13	C3     1.2517    -5.0263     0.4210	C.3	1	noname	0.0599
14	C4    -0.4066    -6.3057    -1.0765	C.3	1	noname	0.0599
15	C5    -2.2962    -5.0113     1.3927	C.2	1	noname	0.0531
16	C6    -3.1789    -3.9680     1.7283	C.2	1	noname	0.0284
17	C7    -4.3105    -4.3954     2.4770	C.2	1	noname	0.0604
18	C8    -6.2885    -1.7528     3.7550	C.2	1	noname	0.0353
19	C9    -5.0652    -2.2602     3.3386	C.2	1	noname	0.1249
20	C10    -7.1953    -2.8026     3.6027	C.2	1	noname	-0.0318
21	C11    -3.6167    -6.7326     2.4440	C.2	1	noname	0.0614
22	C12    -5.6392     0.4354     4.6493	C.2	1	noname	-0.0142
23	C13    -6.3668     1.5505     5.0232	C.2	1	noname	0.0609
24	H1     0.0619    -4.4830     2.1889	H	1	noname	0.0459
25	H2     0.1308    -3.2332     0.9703	H	1	noname	0.0459
26	H3    -2.4214    -5.4760    -0.9491	H	1	noname	0.0459
27	H4    -1.0843    -4.3018    -1.4014	H	1	noname	0.0459
28	H5     1.8176    -4.2984    -0.1604	H	1	noname	0.0580
29	H6     1.9561    -5.3475     1.1883	H	1	noname	0.0580
30	H7    -0.8637    -7.2534    -0.7916	H	1	noname	0.0580
31	H8    -0.2740    -6.3951    -2.1547	H	1	noname	0.0580
32	H9    -3.0220    -2.9965     1.4600	H	1	noname	0.0690
33	H10    -8.1924    -2.7785     3.8161	H	1	noname	0.0786
34	H11    -3.7814    -7.7071     2.6964	H	1	noname	0.1062
35	H12    -4.6261     0.3249     4.6933	H	1	noname	0.0831
36	H13    -6.0043     2.4249     5.4032	H	1	noname	0.0874
37	H14    -6.8866    -4.7225     2.9312	H	1	noname	0.1480
@<TRIPOS>BOND
1	1	13	1
2	1	14	1
3	2	19	2
4	3	11	1
5	3	12	1
6	3	15	1
7	4	5	1
8	4	17	1
9	4	19	1
10	5	20	1
11	5	37	1
12	6	15	2
13	6	21	1
14	7	17	1
15	7	21	2
16	8	9	1
17	8	18	1
18	8	22	1
19	9	10	2
20	10	23	1
21	11	13	1
22	11	24	1
23	11	25	1
24	12	14	1
25	12	26	1
26	12	27	1
27	13	28	1
28	13	29	1
29	14	30	1
30	14	31	1
31	15	16	1
32	16	17	2
33	16	32	1
34	18	19	1
35	18	20	2
36	20	33	1
37	21	34	1
38	22	23	2
39	22	35	1
40	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1