REMARK Name = BDB026026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.657 -1.117 -0.593 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.126 -0.045 -0.111 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.502 -0.205 0.094 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.138 -1.431 -0.170 0.00 0.00 +0.016 A ATOM 5 C LIG 1 1.340 -2.481 -0.653 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.877 -3.674 -0.954 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.032 -2.335 -0.859 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.599 -3.502 0.508 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.845 -2.673 -0.541 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.691 -2.057 -1.596 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.077 -1.789 -1.244 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.010 -0.945 -2.317 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.473 0.476 -1.935 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.461 -1.028 -2.199 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.045 -0.905 -0.781 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.891 -1.673 0.173 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.591 -1.571 0.039 0.00 0.00 -0.023 C ATOM 18 C LIG 1 4.518 -0.385 0.142 0.00 0.00 +0.143 C ATOM 19 N LIG 1 5.821 -1.023 0.175 0.00 0.00 -0.292 N ATOM 20 C LIG 1 5.748 -2.451 0.385 0.00 0.00 +0.136 C ATOM 21 C LIG 1 4.289 -2.709 0.189 0.00 0.00 -0.002 C BRANCH 19 22 ATOM 22 C LIG 1 6.923 -0.321 0.572 0.00 0.00 +0.218 A ATOM 23 N LIG 1 6.844 1.023 0.639 0.00 0.00 -0.220 NA ATOM 24 C LIG 1 7.952 1.697 1.014 0.00 0.00 +0.154 A ATOM 25 C LIG 1 9.136 1.084 1.321 0.00 0.00 +0.160 A ATOM 26 F LIG 1 10.221 1.773 1.689 0.00 0.00 -0.202 F ATOM 27 C LIG 1 9.136 -0.281 1.227 0.00 0.00 +0.154 A ATOM 28 N LIG 1 8.052 -1.000 0.859 0.00 0.00 -0.220 NA ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.581 1.150 0.137 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.575 1.043 -0.062 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.090 2.358 0.560 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.076 2.657 0.781 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.157 3.392 0.686 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.221 3.349 1.684 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.133 4.341 1.714 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.063 5.466 0.747 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -3.898 6.361 0.756 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.014 5.426 -0.136 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -1.952 6.205 -0.784 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.077 4.424 -0.169 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.246 2.224 2.671 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.052 2.033 3.279 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.593 1.054 2.077 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.155 2.428 3.661 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6