REMARK Name = LIG000965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.312 -0.411 2.575 0.00 0.00 +0.129 A ATOM 2 C LIG 1 -0.201 0.748 1.773 0.00 0.00 +0.024 A ATOM 3 C LIG 1 0.453 1.876 2.300 0.00 0.00 +0.012 A ATOM 4 C LIG 1 0.974 1.863 3.592 0.00 0.00 +0.001 A ATOM 5 C LIG 1 0.850 0.721 4.376 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.210 -0.413 3.872 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.721 0.795 0.401 0.00 0.00 -0.009 A ATOM 8 C LIG 1 -2.083 0.852 0.124 0.00 0.00 -0.010 A ATOM 9 C LIG 1 -3.245 0.904 1.060 0.00 0.00 +0.145 C ATOM 10 N LIG 1 -4.387 0.911 0.157 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -4.006 0.951 -1.170 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -4.710 1.049 -2.155 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.540 0.888 -1.194 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -1.693 0.876 -2.285 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -0.325 0.824 -2.029 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.153 0.783 -0.705 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 -5.750 1.030 0.659 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -6.333 2.393 0.280 0.00 0.00 +0.240 C ATOM 19 O LIG 1 -5.854 3.450 0.691 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 -7.388 2.397 -0.596 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -7.746 3.307 -0.849 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 -7.939 1.341 -1.274 0.00 0.00 +0.219 C ATOM 23 O LIG 1 -8.864 1.520 -2.062 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 -7.347 -0.024 -1.032 0.00 0.00 +0.098 C ATOM 25 C LIG 1 -6.673 -0.137 0.323 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 -0.950 -1.481 1.995 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 -0.717 -2.781 2.530 0.00 0.00 +0.326 C BRANCH 27 29 ATOM 28 O LIG 1 1.156 -4.213 3.038 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 0.691 -3.339 2.310 0.00 0.00 +0.270 C ATOM 30 N LIG 1 1.319 -2.780 1.207 0.00 0.00 -0.204 N ATOM 31 H LIG 1 0.870 -2.002 0.731 0.00 0.00 +0.177 HD BRANCH 30 32 ATOM 32 N LIG 1 2.601 -3.116 0.897 0.00 0.00 -0.188 NA ATOM 33 C LIG 1 3.156 -2.383 -0.016 0.00 0.00 +0.139 C BRANCH 33 34 ATOM 34 C LIG 1 4.548 -2.618 -0.465 0.00 0.00 +0.002 A ATOM 35 C LIG 1 5.240 -1.646 -1.216 0.00 0.00 -0.009 A ATOM 36 C LIG 1 6.552 -1.943 -1.633 0.00 0.00 +0.009 A ATOM 37 C LIG 1 7.154 -3.163 -1.313 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.459 -4.108 -0.567 0.00 0.00 +0.001 A ATOM 39 C LIG 1 5.160 -3.837 -0.140 0.00 0.00 +0.010 A BRANCH 35 40 ATOM 40 C LIG 1 4.671 -0.335 -1.558 0.00 0.00 -0.017 A ATOM 41 C LIG 1 4.218 -0.065 -2.857 0.00 0.00 +0.009 A ATOM 42 C LIG 1 3.685 1.185 -3.184 0.00 0.00 +0.013 A ATOM 43 C LIG 1 3.595 2.197 -2.217 0.00 0.00 +0.055 A ATOM 44 C LIG 1 4.056 1.934 -0.920 0.00 0.00 +0.013 A ATOM 45 C LIG 1 4.586 0.682 -0.595 0.00 0.00 +0.009 A BRANCH 43 46 ATOM 46 C LIG 1 3.027 3.547 -2.585 0.00 0.00 +0.417 C ATOM 47 F LIG 1 1.819 3.450 -3.202 0.00 0.00 -0.166 F ATOM 48 F LIG 1 2.834 4.364 -1.513 0.00 0.00 -0.166 F ATOM 49 F LIG 1 3.831 4.233 -3.440 0.00 0.00 -0.166 F ENDBRANCH 43 46 ENDBRANCH 35 40 ENDBRANCH 33 34 ENDBRANCH 30 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9