REMARK Name = BDB014188 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.958 -0.547 -0.796 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.171 -1.898 -1.048 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.433 -2.554 -1.955 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.154 -2.594 -0.353 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.949 -1.926 0.582 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.779 -0.551 0.815 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.766 0.132 0.125 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.362 1.134 -2.254 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.051 0.218 -1.546 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.396 -0.084 -1.377 0.00 0.00 -0.294 N ATOM 11 C LIG 1 1.919 -0.987 -0.342 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.455 -1.126 -0.353 0.00 0.00 +0.124 C ATOM 13 N LIG 1 4.109 0.194 -0.332 0.00 0.00 -0.326 N ATOM 14 C LIG 1 3.481 1.262 -1.143 0.00 0.00 +0.124 C ATOM 15 C LIG 1 2.397 0.713 -2.089 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 5.432 0.339 0.076 0.00 0.00 +0.050 A ATOM 17 C LIG 1 6.278 -0.762 0.294 0.00 0.00 +0.056 A ATOM 18 C LIG 1 7.597 -0.539 0.712 0.00 0.00 +0.109 A ATOM 19 C LIG 1 8.001 0.773 0.897 0.00 0.00 +0.158 A ATOM 20 N LIG 1 9.303 0.689 1.294 0.00 0.00 -0.329 N ATOM 21 H LIG 1 9.894 1.476 1.513 0.00 0.00 +0.168 HD ATOM 22 C LIG 1 9.636 -0.637 1.334 0.00 0.00 +0.198 A ATOM 23 N LIG 1 7.281 1.892 0.729 0.00 0.00 -0.234 NA ATOM 24 N LIG 1 8.627 -1.409 0.987 0.00 0.00 -0.234 NA ATOM 25 C LIG 1 6.008 1.605 0.325 0.00 0.00 +0.136 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 26 ATOM 26 C LIG 1 -3.647 0.183 1.813 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -5.138 -0.061 1.617 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.869 0.626 0.520 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -7.228 0.347 0.391 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -7.989 0.949 -0.618 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.384 1.837 -1.505 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.025 2.122 -1.382 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -7.862 -0.593 1.330 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -9.054 -0.867 1.256 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -7.040 -1.137 2.286 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -7.462 -1.785 2.945 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -5.266 1.521 -0.372 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -5.712 -0.891 2.438 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4