@<TRIPOS>MOLECULE
72710712
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2677    -3.4148     1.7151	O.3	1	noname	-0.3892
2	O2    -1.3242    -0.2826     0.1019	O.3	1	noname	-0.2642
3	N1    -1.2043    -4.4126    -0.7188	N.3	1	noname	-0.3093
4	N2     2.0694    -0.4653     0.4652	N.1	1	noname	-0.1811
5	C1    -0.1000    -4.9500    -1.5122	C.3	1	noname	0.0099
6	C2    -0.8341    -3.0986    -0.1956	C.3	1	noname	0.0241
7	C3    -1.9897    -2.5362     0.6347	C.3	1	noname	0.0904
8	C4    -0.4874    -6.3251    -2.0598	C.3	1	noname	-0.0474
9	C5     1.1434    -5.0838    -0.6307	C.3	1	noname	-0.0474
10	C6     0.1995    -4.0033    -2.6762	C.3	1	noname	-0.0474
11	C7    -1.6023    -1.1611     1.1823	C.3	1	noname	0.0807
12	C8    -0.9824     0.9308     0.5851	C.2	1	noname	0.0391
13	C9     0.3494     1.2200     0.8585	C.2	1	noname	0.0195
14	C10    -1.9623     1.8909     0.8092	C.2	1	noname	-0.0191
15	C11     0.7013     2.4693     1.3560	C.2	1	noname	-0.0109
16	C12    -1.6104     3.1402     1.3067	C.2	1	noname	-0.0433
17	C13    -0.2786     3.4294     1.5801	C.2	1	noname	-0.0610
18	C14     1.2601     0.3276     0.6502	C.1	1	noname	0.0716
19	H1    -2.0348    -4.3232    -1.3076	H	1	noname	0.1228
20	H2    -0.6207    -2.4242    -1.0249	H	1	noname	0.0455
21	H3     0.0517    -3.1940     0.4324	H	1	noname	0.0455
22	H4    -2.8755    -2.4409     0.0067	H	1	noname	0.0638
23	H5     0.3358    -6.7257    -2.6513	H	1	noname	0.0249
24	H6    -1.3733    -6.2297    -2.6877	H	1	noname	0.0249
25	H7     1.9666    -5.4845    -1.2222	H	1	noname	0.0249
26	H8     0.9299    -5.7582     0.1986	H	1	noname	0.0249
27	H9     1.4193    -4.1042    -0.2406	H	1	noname	0.0249
28	H10     1.0228    -4.4040    -3.2677	H	1	noname	0.0249
29	H11    -0.6863    -3.9080    -3.3042	H	1	noname	0.0249
30	H12     0.4755    -3.0237    -2.2861	H	1	noname	0.0249
31	H13    -0.7008    -6.9995    -1.2305	H	1	noname	0.0249
32	H14    -2.4255    -0.7605     1.7738	H	1	noname	0.0599
33	H15    -0.7165    -1.2565     1.8103	H	1	noname	0.0599
34	H16    -3.0079    -3.0546     2.2469	H	1	noname	0.2106
35	H17    -2.9396     1.6786     0.6085	H	1	noname	0.0650
36	H18     1.6786     2.6815     1.5566	H	1	noname	0.0637
37	H19    -2.3294     3.8447     1.4711	H	1	noname	0.0623
38	H20    -0.0203     4.3461     1.9452	H	1	noname	0.0623
@<TRIPOS>BOND
1	7	1	1
2	1	34	1
3	2	11	1
4	2	12	1
5	3	5	1
6	3	6	1
7	3	19	1
8	4	18	3
9	5	8	1
10	5	9	1
11	5	10	1
12	6	7	1
13	6	20	1
14	6	21	1
15	7	11	1
16	7	22	1
17	8	23	1
18	8	24	1
19	8	31	1
20	9	25	1
21	9	26	1
22	9	27	1
23	10	28	1
24	10	29	1
25	10	30	1
26	11	32	1
27	11	33	1
28	12	13	1
29	12	14	2
30	13	15	2
31	13	18	1
32	14	16	1
33	14	35	1
34	15	17	1
35	15	36	1
36	16	17	2
37	16	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1