@<TRIPOS>MOLECULE
72801354
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.6104     2.1437    -1.0987	N.3	1	noname	-0.0228
2	N2     1.2041     0.0485    -0.6955	N.2	1	noname	-0.2283
3	N3     2.8129     1.7654    -0.0817	N.3	1	noname	0.0475
4	N4     3.1728     3.0100     0.0544	N.2	1	noname	-0.2616
5	N5     5.2923     5.7608     0.9168	N.2	1	noname	-0.2358
6	C1    -0.4180     1.3735    -1.4814	C.2	1	noname	-0.0760
7	C2    -0.0434     0.0569    -1.2277	C.2	1	noname	0.0052
8	C3     1.6023     1.3498    -0.6051	C.2	1	noname	0.0015
9	C4    -1.6903     1.7042    -2.0252	C.2	1	noname	-0.0391
10	C5     0.5660     3.5731    -1.2017	C.3	1	noname	-0.0527
11	C6    -0.9652    -0.9733    -1.5312	C.2	1	noname	-0.0104
12	C7    -2.6190     0.6900    -2.3017	C.2	1	noname	-0.0479
13	C8    -2.2528    -0.6533    -2.0540	C.2	1	noname	-0.0438
14	C9     4.1929     3.6339     0.5219	C.2	1	noname	0.0488
15	C10     4.2153     5.0637     0.4705	C.2	1	noname	0.0133
16	C11     3.1648     5.8982    -0.0218	C.2	1	noname	-0.0075
17	C12     4.4253     7.9530     0.3659	C.2	1	noname	-0.0204
18	C13     3.2873     7.3015    -0.1185	C.2	1	noname	-0.0416
19	C14     5.3045     2.8685     1.0779	C.3	1	noname	-0.0188
20	C15     5.4293     7.1174     0.9002	C.2	1	noname	-0.0046
21	C16     4.5595     9.4304     0.3426	C.3	1	noname	0.0070
22	H1    -1.9657     2.6700    -2.2179	H	1	noname	0.0643
23	H2     1.4646     3.9842    -1.7024	H	1	noname	0.0437
24	H3    -0.3256     3.8700    -1.7540	H	1	noname	0.0437
25	H4     0.5843     3.9945    -0.1966	H	1	noname	0.0437
26	H5    -0.7010    -1.9410    -1.3596	H	1	noname	0.0645
27	H6     2.9907     1.2854     0.7423	H	1	noname	0.1590
28	H7    -3.5523     0.9460    -2.6723	H	1	noname	0.0623
29	H8    -2.9352    -1.3986    -2.2481	H	1	noname	0.0623
30	H9     2.2911     5.4917    -0.2881	H	1	noname	0.0646
31	H10     2.5088     7.8411    -0.5390	H	1	noname	0.0626
32	H11     5.4462     3.1411     2.1237	H	1	noname	0.0297
33	H12     5.0839     1.8035     1.0067	H	1	noname	0.0297
34	H13     6.2135     3.0895     0.5185	H	1	noname	0.0297
35	H14     6.2740     7.4964     1.2808	H	1	noname	0.0842
36	H15     5.4276     9.7070    -0.2556	H	1	noname	0.0280
37	H16     3.6625     9.8698    -0.0938	H	1	noname	0.0280
38	H17     4.6868     9.7997     1.3602	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	6	1
2	1	8	1
3	1	10	1
4	2	7	1
5	2	8	2
6	3	4	1
7	3	8	1
8	3	27	1
9	4	14	2
10	5	15	2
11	5	20	1
12	6	7	1
13	6	9	2
14	7	11	2
15	9	12	1
16	9	22	1
17	10	23	1
18	10	24	1
19	10	25	1
20	11	13	1
21	11	26	1
22	12	13	2
23	12	28	1
24	13	29	1
25	14	15	1
26	14	19	1
27	15	16	1
28	16	18	2
29	16	30	1
30	17	18	1
31	17	20	2
32	17	21	1
33	18	31	1
34	19	32	1
35	19	33	1
36	19	34	1
37	20	35	1
38	21	36	1
39	21	37	1
40	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1