@COMMENT
LIGANDBOX_ID = HTS1710-04347972-01
SOURCE = Namiki1710
SOURCE_ID = NS-019736433-0000
MOLECULAR_FORMULA = C18H28N2O2
MOLECULAR_WEIGHT = 304.434
MOLECULAR_CHARGE = 0
NUM_OF_DONOR = 0
NUM_OF_ACCEPTOR = 2
NUM_OF_CHIRAL_ATOMS = 1
TPSA = 40.6200
HOMO = -8.6878
LUMO = -0.0029
LOGP = 2.427
LOGS = -3.196
@MOLECULE
HTS1710-04347972-01
50 51 0 0 0
SMALL
USER_CHARGES
@ATOM
1 N1 -0.5879 1.9119 -0.2639 N.am 1 LGD -0.4650
2 N2 -1.5809 -1.2481 2.7321 N.am 1 LGD -0.3388
3 C1 -0.7789 1.3719 1.0221 C.2 1 LGD 0.6465
4 C2 -1.4439 -1.8661 3.9781 C.2 1 LGD 0.6827
5 C3 -2.2059 0.9019 1.3951 C.3 1 LGD -0.1637
6 C4 -2.2669 0.0829 2.7161 C.3 1 LGD 0.0819
7 C5 -1.1579 -1.8801 1.5531 C.2 1 LGD 0.0149
8 C6 0.7981 2.1639 -0.7689 C.3 1 LGD 0.0925
9 C7 -0.7829 -3.1831 3.9401 C.2 1 LGD -0.2589
10 O1 -1.8339 -1.3671 5.0211 O.2 1 LGD -0.6474
11 O2 0.1381 1.2709 1.8211 O.2 1 LGD -0.6051
12 C8 -0.5459 -3.1181 1.5481 C.2 1 LGD -0.2586
13 C9 -0.3409 -3.7991 2.7931 C.2 1 LGD -0.0363
14 C10 1.3751 0.9289 -1.5299 C.3 1 LGD -0.0845
15 C11 -1.6749 1.9929 -1.2859 C.3 1 LGD 0.0922
16 C12 1.7031 -0.2631 -0.5929 C.3 1 LGD -0.0757
17 C13 2.4131 -1.4461 -1.3119 C.3 1 LGD -0.0692
18 C14 0.8721 3.4389 -1.6509 C.3 1 LGD -0.0942
19 C15 -1.5779 3.2309 -2.2099 C.3 1 LGD -0.0990
20 C16 1.4721 -2.1691 -2.3099 C.3 1 LGD -0.0899
21 C17 2.9751 -2.4511 -0.2779 C.3 1 LGD -0.0899
22 C18 -0.1659 3.4239 -2.7899 C.3 1 LGD -0.0784
23 H1 -2.8279 1.7969 1.5141 H 1 LGD 0.0777
24 H2 -2.6569 0.3239 0.5801 H 1 LGD 0.0777
25 H3 -3.3229 -0.0841 2.9621 H 1 LGD 0.0891
26 H4 -1.8449 0.7029 3.5171 H 1 LGD 0.0891
27 H5 -1.3469 -1.3321 0.6441 H 1 LGD 0.1558
28 H6 1.4571 2.3559 0.0871 H 1 LGD 0.0935
29 H7 -0.6599 -3.6681 4.9021 H 1 LGD 0.1618
30 H8 -0.2279 -3.5761 0.6181 H 1 LGD 0.1489
31 H9 0.1361 -4.7721 2.8211 H 1 LGD 0.1380
32 H10 0.6701 0.6099 -2.3069 H 1 LGD 0.0453
33 H11 2.2981 1.2239 -2.0459 H 1 LGD 0.0453
34 H12 -1.6399 1.0839 -1.8989 H 1 LGD 0.0467
35 H13 -2.6569 2.0329 -0.8039 H 1 LGD 0.0467
36 H14 2.3461 0.0989 0.2201 H 1 LGD 0.0451
37 H15 0.7821 -0.6311 -0.1259 H 1 LGD 0.0451
38 H16 3.2651 -1.0451 -1.8769 H 1 LGD 0.0459
39 H17 0.6931 4.3179 -1.0179 H 1 LGD 0.0518
40 H18 1.8801 3.5579 -2.0669 H 1 LGD 0.0518
41 H19 -2.3069 3.1419 -3.0249 H 1 LGD 0.0495
42 H20 -1.8519 4.1249 -1.6349 H 1 LGD 0.0495
43 H21 1.9721 -3.0381 -2.7549 H 1 LGD 0.0333
44 H22 0.5621 -2.5211 -1.8069 H 1 LGD 0.0333
45 H23 1.1751 -1.5041 -3.1299 H 1 LGD 0.0333
46 H24 3.6811 -1.9581 0.4021 H 1 LGD 0.0333
47 H25 2.1701 -2.8891 0.3251 H 1 LGD 0.0333
48 H26 3.5101 -3.2681 -0.7789 H 1 LGD 0.0333
49 H27 -0.1199 4.3679 -3.3479 H 1 LGD 0.0449
50 H28 0.0601 2.6189 -3.4999 H 1 LGD 0.0449
@BOND
1 2 6 1
2 1 3 am
3 2 4 am
4 3 5 1
5 5 6 1
6 2 7 1
7 1 8 1
8 4 9 1
9 4 10 2
10 3 11 2
11 7 12 2
12 9 13 2
13 8 14 1
14 1 15 1
15 14 16 1
16 16 17 1
17 8 18 1
18 15 19 1
19 17 20 1
20 17 21 1
21 18 22 1
22 19 22 1
23 12 13 1
24 5 23 1
25 5 24 1
26 6 25 1
27 6 26 1
28 7 27 1
29 8 28 1
30 9 29 1
31 12 30 1
32 13 31 1
33 14 32 1
34 14 33 1
35 15 34 1
36 15 35 1
37 16 36 1
38 16 37 1
39 17 38 1
40 18 39 1
41 18 40 1
42 19 41 1
43 19 42 1
44 20 43 1
45 20 44 1
46 20 45 1
47 21 46 1
48 21 47 1
49 21 48 1
50 22 49 1
51 22 50 1