@<TRIPOS>MOLECULE
72941596
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.4274    -3.3785     3.4261	O.3	1	noname	-0.3730
2	O2    -4.8564    -0.4884     1.7501	O.3	1	noname	-0.2713
3	N1    -2.8684    -1.6840     5.3213	N.3	1	noname	-0.3117
4	C1    -4.1458    -2.1071     3.3598	C.3	1	noname	0.0939
5	C2    -3.5277    -0.9486     4.2072	C.3	1	noname	0.0240
6	C3    -4.2455    -1.7656     1.8639	C.3	1	noname	0.0809
7	C4    -1.7009    -2.5323     4.8834	C.3	1	noname	0.0189
8	C5    -1.9697    -3.3094     3.5567	C.3	1	noname	0.0597
9	C6    -6.0018    -0.6438    -0.3520	C.2	1	noname	-0.0146
10	C7    -4.8976    -0.2085     0.4378	C.2	1	noname	0.0077
11	C8    -7.1787    -1.4184     0.0363	C.3	1	noname	-0.0062
12	C9    -6.0616    -0.3350    -1.7089	C.2	1	noname	-0.0299
13	C10    -7.8538    -1.4712    -1.2373	C.2	1	noname	-0.0695
14	C11    -7.2027    -0.8484    -2.2231	C.2	1	noname	-0.0520
15	C12    -3.8685     0.5671    -0.1805	C.2	1	noname	-0.0315
16	C13    -5.0334     0.4080    -2.3479	C.2	1	noname	-0.0624
17	C14    -3.9321     0.8599    -1.5672	C.2	1	noname	-0.0491
18	H1    -5.1437    -2.2626     3.8030	H	1	noname	0.0641
19	H2    -4.3269    -0.3243     4.6068	H	1	noname	0.0455
20	H3    -2.7791    -0.4177     3.6192	H	1	noname	0.0455
21	H4    -4.8634    -2.5100     1.3617	H	1	noname	0.0599
22	H5    -3.2635    -1.7158     1.3935	H	1	noname	0.0599
23	H6    -1.4488    -3.2393     5.6738	H	1	noname	0.0451
24	H7    -0.8325    -1.8992     4.7015	H	1	noname	0.0451
25	H8    -1.5639    -4.3178     3.6376	H	1	noname	0.0579
26	H9    -1.5667    -2.7350     2.7225	H	1	noname	0.0579
27	H10    -2.5582    -1.0186     6.0323	H	1	noname	0.1224
28	H11    -7.7772    -0.8412     0.7411	H	1	noname	0.0360
29	H12    -6.9884    -2.3754     0.5221	H	1	noname	0.0360
30	H13    -8.7221    -1.9282    -1.3689	H	1	noname	0.0579
31	H14    -7.5022    -0.7753    -3.1639	H	1	noname	0.0625
32	H15    -3.0863     0.9110     0.3767	H	1	noname	0.0650
33	H16    -5.0831     0.6135    -3.3457	H	1	noname	0.0629
34	H17    -3.1849     1.3971    -2.0071	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	4	1
2	1	8	1
3	2	6	1
4	2	10	1
5	3	5	1
6	3	7	1
7	3	27	1
8	4	5	1
9	4	6	1
10	4	18	1
11	5	19	1
12	5	20	1
13	6	21	1
14	6	22	1
15	7	8	1
16	7	23	1
17	7	24	1
18	8	25	1
19	8	26	1
20	9	10	1
21	9	11	1
22	9	12	2
23	10	15	2
24	11	13	1
25	11	28	1
26	11	29	1
27	12	14	1
28	12	16	1
29	13	14	2
30	13	30	1
31	14	31	1
32	15	17	1
33	15	32	1
34	16	17	2
35	16	33	1
36	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1