@<TRIPOS>MOLECULE
72941913
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3084     1.2794    -0.5033	O.2	1	noname	-0.2964
2	O2    -6.6634    -1.8659    -0.4825	O.3	1	noname	-0.2189
3	O3    -7.3009    -0.1498     0.8294	O.2	1	noname	-0.2559
4	N1    -2.7094     0.9878     1.2245	N.3	1	noname	-0.0757
5	N2    -2.0013    -4.1872    -0.7023	N.3	1	noname	-0.3244
6	C1    -3.6873     1.8690     0.7195	C.3	1	noname	0.0325
7	C2    -5.0681     1.2207     0.8383	C.3	1	noname	-0.0244
8	C3    -1.8926    -1.8073    -0.1601	C.3	1	noname	-0.0261
9	C4    -1.1275    -0.7591     0.6504	C.3	1	noname	0.0230
10	C5    -1.2702    -3.1856     0.0721	C.3	1	noname	0.0226
11	C6    -1.7215     0.5561     0.4288	C.2	1	noname	0.0391
12	C7    -5.0911    -0.0812     0.0349	C.3	1	noname	0.0352
13	C8    -3.6659     3.0859     1.4703	C.2	1	noname	-0.0838
14	C9     0.0979    -3.1670    -0.3435	C.2	1	noname	-0.0842
15	C10    -6.4087    -0.6998     0.1483	C.2	1	noname	0.1348
16	C11    -2.5595     3.8229     1.5108	C.2	1	noname	-0.0921
17	C12     0.8415    -4.2641    -0.2330	C.2	1	noname	-0.0923
18	H1    -3.4760     2.0846    -0.3279	H	1	noname	0.0514
19	H2    -5.2794     1.0052     1.8856	H	1	noname	0.0291
20	H3    -5.8241     1.9020     0.4478	H	1	noname	0.0291
21	H4    -2.9354    -1.8215     0.1568	H	1	noname	0.0290
22	H5    -1.8382    -1.5580    -1.2198	H	1	noname	0.0290
23	H6    -1.1819    -1.0085     1.7101	H	1	noname	0.0361
24	H7    -0.0847    -0.7449     0.3335	H	1	noname	0.0361
25	H8    -1.3246    -3.4349     1.1319	H	1	noname	0.0507
26	H9    -2.7517     0.6941     2.1480	H	1	noname	0.1316
27	H10    -4.3350    -0.7624     0.4254	H	1	noname	0.0373
28	H11    -4.8798     0.1344    -1.0125	H	1	noname	0.0373
29	H12    -4.4746     3.3797     1.9600	H	1	noname	0.0586
30	H13     0.4916    -2.3374    -0.7136	H	1	noname	0.0586
31	H14    -2.9790    -4.2005    -0.4052	H	1	noname	0.1189
32	H15    -1.9503    -3.9534    -1.6959	H	1	noname	0.1189
33	H16    -1.7508     3.5290     1.0212	H	1	noname	0.0535
34	H17    -2.5446     4.6653     2.0306	H	1	noname	0.0535
35	H18     0.4478    -5.0937     0.1370	H	1	noname	0.0535
36	H19     1.7887    -4.2512    -0.5208	H	1	noname	0.0535
37	H20    -7.3118    -2.4960    -0.1045	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	11	2
2	2	15	1
3	2	37	1
4	3	15	2
5	4	6	1
6	4	11	1
7	4	26	1
8	5	10	1
9	5	31	1
10	5	32	1
11	6	7	1
12	6	13	1
13	6	18	1
14	7	12	1
15	7	19	1
16	7	20	1
17	8	9	1
18	8	10	1
19	8	21	1
20	8	22	1
21	9	11	1
22	9	23	1
23	9	24	1
24	10	14	1
25	10	25	1
26	12	15	1
27	12	27	1
28	12	28	1
29	13	16	2
30	13	29	1
31	14	17	2
32	14	30	1
33	16	33	1
34	16	34	1
35	17	35	1
36	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1