REMARK Name = BDB047156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.981 0.504 0.338 0.00 0.00 -0.015 A ATOM 2 C LIG 1 1.060 -0.556 0.265 0.00 0.00 +0.033 A ATOM 3 C LIG 1 -0.316 -0.315 0.245 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -0.812 1.008 0.298 0.00 0.00 +0.051 A ATOM 5 C LIG 1 0.101 2.065 0.360 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.477 1.815 0.383 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.214 1.205 0.264 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -2.694 1.745 -1.036 0.00 0.00 +0.120 C ATOM 9 C LIG 1 -3.272 3.171 -0.898 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -4.395 3.262 0.062 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -4.602 4.645 0.482 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.204 2.355 1.216 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.743 1.912 1.454 0.00 0.00 +0.120 C ENDBRANCH 4 7 BRANCH 1 17 ATOM 14 C LIG 1 6.165 -0.278 0.482 0.00 0.00 +0.125 A ATOM 15 N LIG 1 5.333 -0.937 1.313 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 4.005 -0.669 1.237 0.00 0.00 +0.121 A ATOM 17 C LIG 1 3.429 0.250 0.366 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.319 0.917 -0.480 0.00 0.00 +0.013 A ATOM 19 C LIG 1 5.693 0.655 -0.426 0.00 0.00 +0.044 A BRANCH 14 22 ATOM 20 C LIG 1 8.773 0.699 -1.001 0.00 0.00 +0.109 C ATOM 21 C LIG 1 8.682 -0.308 0.105 0.00 0.00 +0.215 C ATOM 22 N LIG 1 7.494 -0.649 0.663 0.00 0.00 -0.271 N ATOM 23 H LIG 1 7.586 -1.347 1.391 0.00 0.00 +0.156 HD ATOM 24 O LIG 1 9.709 -0.848 0.528 0.00 0.00 -0.276 OA ENDBRANCH 14 22 ENDBRANCH 1 17 BRANCH 3 25 ATOM 25 N LIG 1 -1.297 -1.325 0.165 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -2.237 -0.932 0.138 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -1.119 -2.684 0.150 0.00 0.00 +0.250 C ATOM 28 O LIG 1 -0.069 -3.304 0.253 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -2.409 -3.424 0.048 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -3.249 -3.432 -1.145 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -4.395 -4.141 -1.136 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -4.803 -4.907 0.068 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -5.849 -5.541 0.091 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -3.936 -4.853 1.130 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -4.204 -5.392 1.947 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -2.764 -4.138 1.128 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 -2.792 -2.683 -2.358 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -2.853 -1.341 -2.166 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.566 -2.944 -3.445 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -1.520 -2.984 -2.712 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 3 25 TORSDOF 6