REMARK Name = BDB020765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.108 0.936 0.779 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.326 -0.308 0.744 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.059 -1.542 0.273 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.000 -0.269 1.073 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.570 1.004 1.373 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.833 2.195 1.378 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -1.667 3.245 1.714 0.00 0.00 +0.008 A ATOM 8 C LIG 1 -2.958 2.712 1.899 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -2.875 1.357 1.672 0.00 0.00 +0.092 A ATOM 10 C LIG 1 0.552 2.124 1.067 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -1.241 4.623 1.808 0.00 0.00 -0.008 A ATOM 12 C LIG 1 -1.290 5.472 0.719 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -1.744 5.249 -0.682 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -1.902 6.713 -1.141 0.00 0.00 +0.107 C ATOM 15 N LIG 1 -0.950 7.504 -0.366 0.00 0.00 -0.329 N ATOM 16 H LIG 1 -1.121 8.483 -0.173 0.00 0.00 +0.147 HD ATOM 17 C LIG 1 -0.876 6.790 0.858 0.00 0.00 +0.122 A ATOM 18 N LIG 1 -0.456 7.331 2.004 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 -0.412 6.486 3.062 0.00 0.00 +0.113 A ATOM 20 C LIG 1 -0.786 5.145 3.017 0.00 0.00 +0.028 A ENDBRANCH 7 11 BRANCH 1 23 ATOM 21 N LIG 1 3.304 0.341 1.506 0.00 0.00 -0.307 N ATOM 22 H LIG 1 2.823 -0.138 2.260 0.00 0.00 +0.149 HD ATOM 23 C LIG 1 2.579 0.985 0.537 0.00 0.00 +0.245 C ATOM 24 O LIG 1 3.058 1.565 -0.429 0.00 0.00 -0.270 OA BRANCH 21 25 ATOM 25 C LIG 1 4.736 0.154 1.424 0.00 0.00 +0.149 C BRANCH 25 27 ATOM 26 C LIG 1 5.672 -1.569 -0.164 0.00 0.00 +0.132 A ATOM 27 C LIG 1 5.032 -1.241 0.973 0.00 0.00 +0.075 A ATOM 28 C LIG 1 4.613 -2.353 1.879 0.00 0.00 +0.257 A ATOM 29 O LIG 1 3.989 -2.146 2.917 0.00 0.00 -0.267 OA ATOM 30 N LIG 1 4.946 -3.627 1.486 0.00 0.00 -0.326 N ATOM 31 H LIG 1 4.656 -4.365 2.116 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 5.628 -3.936 0.333 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.919 -5.380 0.074 0.00 0.00 +0.063 C ATOM 34 C LIG 1 5.998 -2.941 -0.488 0.00 0.00 +0.067 A BRANCH 26 36 ATOM 35 C LIG 1 5.301 -0.458 -2.165 0.00 0.00 +0.277 C ATOM 36 O LIG 1 6.163 -0.623 -1.037 0.00 0.00 -0.495 OA ENDBRANCH 26 36 ENDBRANCH 25 27 ENDBRANCH 21 25 ENDBRANCH 1 23 BRANCH 4 37 ATOM 37 C LIG 1 -1.834 -1.562 1.158 0.00 0.00 +0.101 C ATOM 38 C LIG 1 -2.756 -1.701 2.386 0.00 0.00 +0.031 C BRANCH 37 39 ATOM 39 N LIG 1 -2.421 -1.960 -0.134 0.00 0.00 -0.292 NA ATOM 40 C LIG 1 -3.464 -1.103 -0.692 0.00 0.00 +0.100 C ATOM 41 C LIG 1 -3.828 -1.475 -2.159 0.00 0.00 +0.100 C ATOM 42 N LIG 1 -3.555 -2.874 -2.543 0.00 0.00 -0.292 NA ATOM 43 C LIG 1 -3.727 -3.764 -1.390 0.00 0.00 +0.100 C ATOM 44 C LIG 1 -2.799 -3.383 -0.203 0.00 0.00 +0.100 C BRANCH 42 45 ATOM 45 C LIG 1 -4.354 -3.312 -3.712 0.00 0.00 +0.198 C BRANCH 45 46 ATOM 46 C LIG 1 -4.220 -2.514 -5.026 0.00 0.00 +0.402 C ATOM 47 F LIG 1 -4.940 -3.112 -6.007 0.00 0.00 -0.169 F ATOM 48 F LIG 1 -4.694 -1.253 -4.900 0.00 0.00 -0.169 F ATOM 49 F LIG 1 -2.941 -2.441 -5.452 0.00 0.00 -0.169 F ENDBRANCH 45 46 ENDBRANCH 42 45 ENDBRANCH 37 39 ENDBRANCH 4 37 TORSDOF 9