@COMMENT
LIGANDBOX_ID = HTS1710-04347972-02
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
HTS1710-04347972-02
50 51 0 0 0
SMALL
USER_CHARGES
@ATOM
1 N1 -1.3291 0.8403 -0.7591 N.am 1 LGD -0.4602
2 N2 -2.2617 -2.4129 2.1340 N.am 1 LGD -0.3408
3 C1 -1.6413 0.3854 0.5464 C.2 1 LGD 0.6415
4 C2 -2.2798 -3.0851 3.3586 C.2 1 LGD 0.6825
5 C3 -2.9988 -0.3357 0.7406 C.3 1 LGD -0.1651
6 C4 -3.0895 -1.1700 2.0496 C.3 1 LGD 0.0788
7 C5 -1.5536 -2.9192 1.0336 C.2 1 LGD 0.0116
8 C6 0.0779 0.9933 -1.3116 C.3 1 LGD 0.1003
9 C7 -1.5061 -4.3365 3.3850 C.2 1 LGD -0.2584
10 O1 -2.8894 -2.6807 4.3349 O.2 1 LGD -0.6473
11 O2 -0.8913 0.5128 1.4979 O.2 1 LGD -0.5903
12 C8 -0.8435 -4.1021 1.0861 C.2 1 LGD -0.2571
13 C9 -0.8145 -4.8467 2.3119 C.2 1 LGD -0.0370
14 C10 1.2365 1.0058 -0.2546 C.3 1 LGD -0.0817
15 C11 -2.3892 0.8869 -1.8117 C.3 1 LGD 0.0829
16 C12 2.6726 1.1157 -0.8450 C.3 1 LGD -0.0757
17 C13 3.7935 0.9498 0.2230 C.3 1 LGD -0.0662
18 C14 0.1916 2.2099 -2.2836 C.3 1 LGD -0.1054
19 C15 -2.2764 2.0973 -2.7588 C.3 1 LGD -0.1064
20 C16 3.8347 2.1441 1.2124 C.3 1 LGD -0.0922
21 C17 5.1725 0.7748 -0.4591 C.3 1 LGD -0.0922
22 C18 -0.8815 2.1882 -3.3840 C.3 1 LGD -0.0785
23 H1 -3.7747 0.4390 0.7809 H 1 LGD 0.0785
24 H2 -3.2411 -0.9693 -0.1211 H 1 LGD 0.0785
25 H3 -4.1385 -1.4627 2.1865 H 1 LGD 0.0893
26 H4 -2.8297 -0.5191 2.8949 H 1 LGD 0.0893
27 H5 -1.6053 -2.3210 0.1377 H 1 LGD 0.1597
28 H6 0.2549 0.1015 -1.9268 H 1 LGD 0.0506
29 H7 -1.5145 -4.8627 4.3327 H 1 LGD 0.1619
30 H8 -0.3132 -4.4695 0.2148 H 1 LGD 0.1491
31 H9 -0.2653 -5.7791 2.3824 H 1 LGD 0.1384
32 H10 1.0709 1.8343 0.4450 H 1 LGD 0.0633
33 H11 1.2022 0.0709 0.3180 H 1 LGD 0.0633
34 H12 -2.3356 -0.0384 -2.3996 H 1 LGD 0.0517
35 H13 -3.3841 0.9415 -1.3574 H 1 LGD 0.0517
36 H14 2.7934 0.3467 -1.6192 H 1 LGD 0.0381
37 H15 2.8100 2.0871 -1.3352 H 1 LGD 0.0381
38 H16 3.5934 0.0373 0.7996 H 1 LGD 0.0458
39 H17 0.1105 3.1434 -1.7115 H 1 LGD 0.0562
40 H18 1.1670 2.2212 -2.7825 H 1 LGD 0.0562
41 H19 -3.0346 2.0214 -3.5484 H 1 LGD 0.0502
42 H20 -2.4867 3.0172 -2.1979 H 1 LGD 0.0502
43 H21 4.6667 2.0347 1.9195 H 1 LGD 0.0349
44 H22 3.9678 3.0933 0.6773 H 1 LGD 0.0349
45 H23 2.9107 2.2080 1.7997 H 1 LGD 0.0349
46 H24 5.1755 -0.1074 -1.1117 H 1 LGD 0.0349
47 H25 5.4243 1.6524 -1.0684 H 1 LGD 0.0349
48 H26 5.9636 0.6403 0.2895 H 1 LGD 0.0349
49 H27 -0.8054 3.0937 -3.9993 H 1 LGD 0.0437
50 H28 -0.7153 1.3292 -4.0471 H 1 LGD 0.0437
@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