REMARK Name = BDB022162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.358 0.533 0.262 0.00 0.00 +0.171 C ATOM 2 C LIG 1 -0.477 -0.569 -0.441 0.00 0.00 +0.083 C ATOM 3 C LIG 1 -1.948 -0.321 -0.265 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -3.110 -1.127 -0.354 0.00 0.00 +0.066 A ATOM 5 N LIG 1 -4.217 -0.423 -0.097 0.00 0.00 -0.170 NA ATOM 6 N LIG 1 -3.819 0.874 -0.017 0.00 0.00 -0.218 N ATOM 7 C LIG 1 -3.241 -2.575 -0.665 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -2.432 0.948 -0.020 0.00 0.00 +0.133 A ATOM 9 N LIG 1 -1.633 2.054 0.168 0.00 0.00 -0.268 N ATOM 10 H LIG 1 -2.005 2.989 0.263 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.267 1.941 0.109 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.426 2.958 0.018 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 13 ATOM 13 C LIG 1 -0.176 -1.970 0.068 0.00 0.00 -0.037 A ATOM 14 C LIG 1 -0.367 -2.337 1.414 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -0.065 -3.628 1.851 0.00 0.00 +0.038 A ATOM 16 C LIG 1 0.435 -4.558 0.949 0.00 0.00 +0.123 A ATOM 17 F LIG 1 0.721 -5.798 1.368 0.00 0.00 -0.205 F ATOM 18 C LIG 1 0.641 -4.222 -0.382 0.00 0.00 +0.038 A ATOM 19 C LIG 1 0.340 -2.931 -0.822 0.00 0.00 +0.007 A ENDBRANCH 2 13 BRANCH 6 20 ATOM 20 C LIG 1 -4.802 1.904 0.034 0.00 0.00 +0.067 A ATOM 21 C LIG 1 -6.101 1.579 0.460 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -7.091 2.560 0.530 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -6.801 3.870 0.157 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.526 4.195 -0.301 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -4.529 3.217 -0.371 0.00 0.00 +0.028 A ENDBRANCH 6 20 BRANCH 1 27 ATOM 26 C LIG 1 2.769 -0.052 0.360 0.00 0.00 +0.245 C ATOM 27 N LIG 1 1.735 0.623 -0.252 0.00 0.00 -0.299 N ATOM 28 H LIG 1 1.970 1.501 -0.705 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 2.606 -0.833 1.289 0.00 0.00 -0.270 OA BRANCH 26 33 ATOM 30 C LIG 1 7.696 -0.013 1.212 0.00 0.00 +0.044 C ATOM 31 C LIG 1 6.539 0.277 0.303 0.00 0.00 -0.050 A ATOM 32 C LIG 1 5.227 0.007 0.717 0.00 0.00 +0.016 A ATOM 33 C LIG 1 4.142 0.250 -0.136 0.00 0.00 +0.037 A ATOM 34 C LIG 1 4.375 0.737 -1.428 0.00 0.00 +0.013 A ATOM 35 C LIG 1 5.681 0.994 -1.852 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.756 0.763 -0.992 0.00 0.00 +0.003 A ENDBRANCH 26 33 ENDBRANCH 1 27 TORSDOF 4