@<TRIPOS>MOLECULE
71308138
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2545    -2.3032     0.0548	O.3	1	noname	-0.1460
2	O2    -0.6081    -4.5105     0.3492	O.2	1	noname	-0.2509
3	N1     4.0485    -2.8465     0.3315	N.3	1	noname	-0.3062
4	N2     1.0479     2.1388     0.7710	N.3	1	noname	-0.0887
5	C1     2.3884    -1.1889     1.3160	C.3	1	noname	0.0253
6	C2     1.6232     0.0093     0.9734	C.2	1	noname	-0.0238
7	C3     3.2329    -1.6110     0.0941	C.3	1	noname	0.0020
8	C4     0.3866     0.0484     0.3362	C.2	1	noname	0.0010
9	C5     0.0361     1.4007     0.2871	C.2	1	noname	-0.0796
10	C6     2.0365     1.3234     1.1846	C.2	1	noname	-0.1309
11	C7     4.9545    -3.1510    -0.8325	C.3	1	noname	-0.0049
12	C8    -0.4978    -0.9696    -0.1399	C.2	1	noname	0.0269
13	C9    -1.2223     1.8086    -0.1965	C.2	1	noname	-0.0446
14	C10     3.2135    -4.0494     0.6634	C.3	1	noname	-0.0133
15	C11    -1.6906    -0.5325    -0.7687	C.2	1	noname	-0.0088
16	C12    -2.0939     0.8175    -0.6809	C.2	1	noname	-0.0371
17	C13     5.9724    -2.0387    -1.1933	C.3	1	noname	-0.0524
18	C14    -1.1088    -3.3620     0.3055	C.2	1	noname	0.1568
19	C15    -2.5329    -3.2791     0.6692	C.3	1	noname	0.0224
20	H1     1.6729    -1.9603     1.6161	H	1	noname	0.0329
21	H2     3.0634    -1.0168     2.1624	H	1	noname	0.0329
22	H3     2.6171    -1.7459    -0.8014	H	1	noname	0.0433
23	H4     3.8947    -0.7451    -0.0952	H	1	noname	0.0433
24	H5     2.9428     1.6142     1.5728	H	1	noname	0.0792
25	H6     1.0784     3.1058     0.7931	H	1	noname	0.1522
26	H7     4.3516    -3.3813    -1.7166	H	1	noname	0.0427
27	H8     5.5378    -4.0548    -0.6114	H	1	noname	0.0427
28	H9    -1.4947     2.7842    -0.1715	H	1	noname	0.0642
29	H10     3.8352    -4.9401     0.8170	H	1	noname	0.0394
30	H11     2.5158    -4.2403    -0.1530	H	1	noname	0.0394
31	H12     2.6307    -3.9060     1.5865	H	1	noname	0.0394
32	H13    -2.2767    -1.2161    -1.2411	H	1	noname	0.0650
33	H14    -3.0423     1.0674    -0.9618	H	1	noname	0.0624
34	H15     6.6280    -2.3806    -2.0011	H	1	noname	0.0243
35	H16     5.4627    -1.1234    -1.5253	H	1	noname	0.0243
36	H17     6.5676    -1.8080    -0.3091	H	1	noname	0.0243
37	H18    -2.8088    -2.2598     0.9668	H	1	noname	0.0336
38	H19    -3.1432    -3.5876    -0.1795	H	1	noname	0.0336
39	H20    -2.7427    -4.0078     1.4522	H	1	noname	0.0336
@<TRIPOS>BOND
1	1	12	1
2	1	18	1
3	2	18	2
4	3	7	1
5	3	11	1
6	3	14	1
7	4	9	1
8	4	10	1
9	4	25	1
10	5	6	1
11	5	7	1
12	5	20	1
13	5	21	1
14	6	8	1
15	6	10	2
16	7	22	1
17	7	23	1
18	8	9	2
19	8	12	1
20	9	13	1
21	10	24	1
22	11	17	1
23	11	26	1
24	11	27	1
25	12	15	2
26	13	16	2
27	13	28	1
28	14	29	1
29	14	30	1
30	14	31	1
31	15	16	1
32	15	32	1
33	16	33	1
34	17	34	1
35	17	35	1
36	17	36	1
37	18	19	1
38	19	37	1
39	19	38	1
40	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1