REMARK Name = LIG001659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.766 0.224 0.917 0.00 0.00 +0.087 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -4.456 -1.191 -1.203 0.00 0.00 +0.107 C ATOM 3 C LIG 1 -3.849 -2.017 -0.054 0.00 0.00 +0.027 C ATOM 4 C LIG 1 -2.379 -1.687 0.196 0.00 0.00 +0.007 C ATOM 5 C LIG 1 -2.205 -0.197 0.510 0.00 0.00 +0.003 C ATOM 6 C LIG 1 -2.846 0.714 -0.558 0.00 0.00 +0.007 C ATOM 7 C LIG 1 -3.559 -0.037 -1.683 0.00 0.00 +0.027 C BRANCH 2 14 ATOM 8 C LIG 1 -9.505 1.047 0.762 0.00 0.00 +0.143 A ATOM 9 C LIG 1 -10.092 0.168 -0.239 0.00 0.00 +0.077 A ATOM 10 C LIG 1 -9.323 -0.654 -1.090 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -7.965 -0.515 -0.830 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -7.344 0.333 0.149 0.00 0.00 +0.096 A ATOM 13 N LIG 1 -6.012 0.174 0.092 0.00 0.00 -0.171 NA ATOM 14 N LIG 1 -5.812 -0.744 -0.882 0.00 0.00 -0.267 N ATOM 15 C LIG 1 -6.964 -1.187 -1.473 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -8.113 1.157 0.985 0.00 0.00 +0.077 A BRANCH 9 17 ATOM 17 N LIG 1 -11.508 0.191 -0.299 0.00 0.00 -0.277 N ATOM 18 H LIG 1 -11.923 0.790 0.408 0.00 0.00 +0.155 HD ATOM 19 C LIG 1 -12.346 -0.541 -1.122 0.00 0.00 +0.267 C ATOM 20 O LIG 1 -12.008 -1.364 -1.965 0.00 0.00 -0.268 OA BRANCH 19 21 ATOM 21 C LIG 1 -13.804 -0.258 -0.917 0.00 0.00 +0.126 A ATOM 22 N LIG 1 -14.619 -1.341 -0.830 0.00 0.00 -0.238 NA ATOM 23 C LIG 1 -15.950 -1.125 -0.637 0.00 0.00 +0.144 A ATOM 24 C LIG 1 -16.477 0.167 -0.540 0.00 0.00 +0.032 A ATOM 25 C LIG 1 -15.622 1.263 -0.636 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -14.261 1.052 -0.829 0.00 0.00 +0.033 A BRANCH 23 27 ATOM 27 C LIG 1 -16.899 -2.315 -0.556 0.00 0.00 +0.434 C ATOM 28 F LIG 1 -16.290 -3.505 -0.295 0.00 0.00 -0.164 F ATOM 29 F LIG 1 -17.838 -2.163 0.427 0.00 0.00 -0.164 F ATOM 30 F LIG 1 -17.609 -2.495 -1.707 0.00 0.00 -0.164 F ENDBRANCH 23 27 ENDBRANCH 19 21 ENDBRANCH 9 17 BRANCH 8 32 ATOM 31 C LIG 1 -9.948 2.665 2.474 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -10.446 1.772 1.482 0.00 0.00 -0.493 OA ENDBRANCH 8 32 ENDBRANCH 2 14 ENDBRANCH 1 5 BRANCH 1 33 ATOM 33 N LIG 1 0.418 -0.124 0.119 0.00 0.00 -0.305 NA ATOM 34 C LIG 1 0.317 0.199 -1.295 0.00 0.00 +0.104 C BRANCH 33 35 ATOM 35 C LIG 1 0.970 -1.468 0.339 0.00 0.00 +0.086 C BRANCH 35 36 ATOM 36 C LIG 1 1.639 -1.652 1.711 0.00 0.00 +0.043 C BRANCH 36 37 ATOM 37 C LIG 1 2.848 -0.743 1.905 0.00 0.00 +0.161 C BRANCH 37 38 ATOM 38 O LIG 1 3.888 -1.157 1.018 0.00 0.00 -0.376 OA BRANCH 38 39 ATOM 39 C LIG 1 4.873 -0.156 0.678 0.00 0.00 +0.122 C ATOM 40 C LIG 1 6.027 -0.666 -0.220 0.00 0.00 +0.054 C ATOM 41 C LIG 1 6.896 -0.757 1.041 0.00 0.00 +0.075 C ATOM 42 C LIG 1 5.924 0.183 1.765 0.00 0.00 +0.054 C BRANCH 41 43 ATOM 43 N LIG 1 8.248 -0.308 0.924 0.00 0.00 -0.340 N ATOM 44 H LIG 1 8.921 -1.074 1.056 0.00 0.00 +0.146 HD BRANCH 43 45 ATOM 45 C LIG 1 8.852 0.805 0.314 0.00 0.00 +0.040 A ATOM 46 C LIG 1 10.234 0.857 0.160 0.00 0.00 +0.070 A ATOM 47 C LIG 1 11.258 -0.133 0.501 0.00 0.00 +0.256 C ATOM 48 N LIG 1 12.471 0.406 0.161 0.00 0.00 -0.222 N ATOM 49 C LIG 1 12.319 1.625 -0.435 0.00 0.00 +0.255 C ATOM 50 O LIG 1 13.163 2.342 -0.935 0.00 0.00 -0.270 OA ATOM 51 O LIG 1 11.017 -1.221 0.993 0.00 0.00 -0.269 OA ATOM 52 C LIG 1 10.892 1.935 -0.410 0.00 0.00 +0.051 A ATOM 53 C LIG 1 10.218 3.049 -0.861 0.00 0.00 +0.014 A ATOM 54 C LIG 1 8.832 3.048 -0.709 0.00 0.00 +0.003 A ATOM 55 C LIG 1 8.164 1.944 -0.127 0.00 0.00 +0.024 A BRANCH 48 56 ATOM 56 C LIG 1 13.716 -0.348 0.236 0.00 0.00 +0.171 C ATOM 57 C LIG 1 14.040 -0.908 -1.153 0.00 0.00 +0.240 C ATOM 58 O LIG 1 13.184 -1.309 -1.941 0.00 0.00 -0.273 OA ATOM 59 N LIG 1 15.370 -0.983 -1.472 0.00 0.00 -0.255 N ATOM 60 H LIG 1 15.566 -1.429 -2.360 0.00 0.00 +0.158 HD ATOM 61 C LIG 1 16.269 0.006 -1.178 0.00 0.00 +0.219 C ATOM 62 O LIG 1 17.299 0.132 -1.835 0.00 0.00 -0.275 OA ATOM 63 C LIG 1 15.879 0.983 -0.097 0.00 0.00 +0.098 C ATOM 64 C LIG 1 14.885 0.391 0.891 0.00 0.00 +0.041 C ENDBRANCH 48 56 ENDBRANCH 43 45 ENDBRANCH 41 43 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 15