REMARK Name = BDB018982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.206 -3.486 2.238 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -1.280 -2.357 2.242 0.00 0.00 -0.330 N ATOM 3 C LIG 1 -1.451 -1.326 1.289 0.00 0.00 +0.052 A ATOM 4 C LIG 1 -0.373 -0.470 0.912 0.00 0.00 +0.056 A ATOM 5 C LIG 1 -0.620 0.565 -0.015 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -1.883 0.783 -0.598 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -2.943 -0.042 -0.208 0.00 0.00 -0.001 A ATOM 8 N LIG 1 0.931 -0.623 1.466 0.00 0.00 -0.297 N ATOM 9 C LIG 1 0.964 -1.430 2.694 0.00 0.00 +0.130 C ATOM 10 C LIG 1 -2.716 -1.073 0.722 0.00 0.00 +0.034 A ATOM 11 C LIG 1 0.124 -2.693 2.508 0.00 0.00 +0.124 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 2.156 -0.085 1.022 0.00 0.00 +0.036 A ATOM 13 C LIG 1 2.511 -0.160 -0.338 0.00 0.00 +0.051 A ATOM 14 C LIG 1 3.722 0.375 -0.729 0.00 0.00 +0.071 A ATOM 15 N LIG 1 4.316 0.437 -1.996 0.00 0.00 -0.295 N ATOM 16 C LIG 1 5.565 1.086 -1.889 0.00 0.00 +0.330 A ATOM 17 N LIG 1 5.718 1.413 -0.523 0.00 0.00 -0.295 N ATOM 18 C LIG 1 6.843 2.091 0.051 0.00 0.00 +0.154 C ATOM 19 O LIG 1 6.354 1.318 -2.791 0.00 0.00 -0.246 OA ATOM 20 C LIG 1 3.736 -0.062 -3.209 0.00 0.00 +0.154 C ATOM 21 C LIG 1 4.590 0.977 0.181 0.00 0.00 +0.070 A ATOM 22 C LIG 1 4.282 1.070 1.518 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.056 0.532 1.931 0.00 0.00 +0.025 A ENDBRANCH 8 12 BRANCH 7 24 ATOM 24 C LIG 1 -4.287 0.116 -0.723 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -5.082 1.224 -0.525 0.00 0.00 +0.116 A ATOM 26 N LIG 1 -6.269 0.952 -1.141 0.00 0.00 -0.274 N ATOM 27 C LIG 1 -7.419 1.818 -1.231 0.00 0.00 +0.172 C ATOM 28 N LIG 1 -6.318 -0.275 -1.693 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 -5.109 -0.782 -1.438 0.00 0.00 +0.142 A ENDBRANCH 7 24 BRANCH 6 30 ATOM 30 C LIG 1 -2.044 1.901 -1.598 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.718 2.973 -1.095 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.701 1.530 -2.732 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.850 2.402 -2.034 0.00 0.00 -0.166 F ENDBRANCH 6 30 TORSDOF 3