@<TRIPOS>MOLECULE
50341067
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0436     5.4941    -3.7597	O.3	1	noname	-0.2855
2	C1     0.3350     4.7480    -2.7002	C.2	1	noname	-0.0033
3	C2     0.0961     3.3787    -2.6934	C.2	1	noname	-0.0286
4	C3     0.9637     5.3492    -1.6160	C.2	1	noname	-0.0529
5	C4     0.4859     2.6106    -1.6025	C.2	1	noname	-0.0217
6	C5     1.3535     4.5811    -0.5251	C.2	1	noname	-0.0534
7	N1     0.2556     1.2906    -1.5959	N.3	1	noname	0.0139
8	C6     1.1146     3.2118    -0.5183	C.2	1	noname	-0.0680
9	C7     0.7133     0.7630    -0.4524	C.2	1	noname	0.0065
10	N2     1.9943     0.8065    -0.0362	N.2	1	noname	-0.2351
11	N3    -0.0452     0.1024     0.4640	N.3	1	noname	-0.0080
12	C8     2.0554     0.1747     1.1447	C.2	1	noname	0.0056
13	C9    -1.3949    -0.1546     0.3576	C.2	1	noname	0.0498
14	C10     0.7605    -0.2440     1.4835	C.2	1	noname	-0.0716
15	C11     3.1666    -0.0722     1.9974	C.2	1	noname	-0.0101
16	N4    -1.9616    -0.3317    -0.8839	N.2	1	noname	-0.2310
17	C12    -2.1869    -0.2410     1.5572	C.2	1	noname	-0.0024
18	C13     0.4851    -0.9015     2.7283	C.2	1	noname	-0.0368
19	C14     2.8870    -0.7341     3.2328	C.2	1	noname	-0.0437
20	C15    -3.2950    -0.6035    -1.0482	C.2	1	noname	0.0557
21	C16    -3.5409    -0.5407     1.3828	C.2	1	noname	0.0109
22	C17     1.5672    -1.1320     3.6039	C.2	1	noname	-0.0473
23	N5    -4.0281    -0.6990     0.1109	N.2	1	noname	-0.2625
24	C18    -3.8968    -0.7800    -2.3666	C.3	1	noname	0.0667
25	H1    -0.3016     4.9165    -4.4819	H	1	noname	0.2181
26	H2    -0.3969     2.9073    -3.5436	H	1	noname	0.0666
27	H3     1.1511     6.4230    -1.6214	H	1	noname	0.0650
28	H4     1.8465     5.0525     0.3251	H	1	noname	0.0624
29	H5    -0.1935     0.7733    -2.3381	H	1	noname	0.1370
30	H6     1.4203     2.6095     0.3372	H	1	noname	0.0639
31	H7     4.1766     0.2292     1.7195	H	1	noname	0.0645
32	H8    -1.7785    -0.0861     2.5558	H	1	noname	0.0675
33	H9    -0.5213    -1.2182     3.0020	H	1	noname	0.0643
34	H10     3.7098    -0.9429     3.9165	H	1	noname	0.0623
35	H11    -4.2130    -0.6502     2.2339	H	1	noname	0.0841
36	H12     1.3842    -1.6156     4.5634	H	1	noname	0.0623
37	H13    -3.9950    -1.8441    -2.5817	H	1	noname	0.0312
38	H14    -4.8820    -0.3139    -2.3817	H	1	noname	0.0312
39	H15    -3.2627    -0.3139    -3.1208	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	1
10	9	10	2
11	9	11	1
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	1
16	12	14	2
17	13	16	2
18	13	17	1
19	14	18	1
20	15	19	2
21	16	20	1
22	17	21	2
23	18	22	2
24	19	22	1
25	20	23	2
26	20	24	1
27	21	23	1
28	1	25	1
29	3	26	1
30	4	27	1
31	6	28	1
32	7	29	1
33	8	30	1
34	15	31	1
35	17	32	1
36	18	33	1
37	19	34	1
38	21	35	1
39	22	36	1
40	24	37	1
41	24	38	1
42	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1