REMARK Name = BDB026036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.213 0.663 -0.373 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.778 1.988 -0.535 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.674 2.981 -0.651 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.573 2.330 -0.568 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.552 1.345 -0.434 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.140 0.001 -0.272 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.220 -0.328 -0.246 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.942 1.628 -0.427 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.402 2.168 0.875 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.277 3.722 1.012 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.141 4.154 2.209 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.515 4.468 -0.250 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.086 5.798 -0.116 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.222 3.652 -1.244 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.420 2.383 -1.612 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.328 -0.354 -0.275 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.488 -0.959 0.579 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.181 -0.617 0.526 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.641 0.314 -0.339 0.00 0.00 +0.021 A ATOM 20 C LIG 1 3.592 0.876 -1.167 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.908 0.566 -1.157 0.00 0.00 -0.222 NA BRANCH 16 27 ATOM 22 C LIG 1 9.166 -0.712 1.607 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.629 -1.837 0.724 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.336 -1.785 -0.530 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.502 -1.484 -1.655 0.00 0.00 +0.179 C ATOM 26 C LIG 1 7.503 -0.349 -1.385 0.00 0.00 +0.136 C ATOM 27 N LIG 1 6.668 -0.671 -0.228 0.00 0.00 -0.295 N ATOM 28 C LIG 1 7.086 -1.794 0.606 0.00 0.00 +0.139 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.184 -0.943 -0.171 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.097 -0.500 -0.271 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.091 -2.293 0.043 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.076 -2.944 0.257 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.423 -2.966 0.070 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -4.325 -3.039 -1.069 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.497 -3.687 -0.930 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.888 -4.320 0.358 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -6.978 -4.876 0.438 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.955 -4.225 1.385 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.242 -4.847 2.669 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -3.748 -3.563 1.228 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.911 -2.431 -2.373 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.663 -2.797 -2.749 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.741 -2.781 -3.391 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.938 -1.075 -2.312 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6