REMARK Name = BDB010934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.584 -1.889 1.344 0.00 0.00 -0.196 N ATOM 2 C LIG 1 -0.001 -1.232 0.248 0.00 0.00 +0.280 A ATOM 3 O LIG 1 -0.572 -0.502 -0.562 0.00 0.00 -0.265 OA ATOM 4 C LIG 1 1.444 -1.468 0.029 0.00 0.00 +0.051 A ATOM 5 C LIG 1 2.135 -2.360 0.840 0.00 0.00 +0.019 A ATOM 6 C LIG 1 3.506 -2.602 0.647 0.00 0.00 +0.064 A ATOM 7 C LIG 1 4.165 -1.917 -0.390 0.00 0.00 +0.018 A ATOM 8 C LIG 1 3.484 -1.008 -1.215 0.00 0.00 -0.032 A ATOM 9 C LIG 1 1.358 -3.020 1.885 0.00 0.00 +0.142 A ATOM 10 C LIG 1 2.118 -0.795 -1.000 0.00 0.00 +0.019 A ATOM 11 N LIG 1 0.105 -2.801 2.116 0.00 0.00 -0.171 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -4.120 -0.495 1.617 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.757 -0.662 1.272 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -1.958 -1.719 1.743 0.00 0.00 +0.070 A ATOM 15 C LIG 1 -2.553 -2.618 2.641 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -3.890 -2.489 3.013 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.660 -1.449 2.498 0.00 0.00 +0.005 A BRANCH 12 21 ATOM 18 C LIG 1 -5.194 4.100 1.956 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.515 2.812 1.225 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -4.316 2.044 0.621 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -5.016 0.700 1.033 0.00 0.00 +0.056 C ATOM 22 C LIG 1 -5.778 1.568 2.103 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 -5.973 0.143 -0.109 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.613 -0.438 -1.296 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -4.293 -0.692 -1.803 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -6.777 -0.753 -1.927 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -7.795 -0.390 -1.183 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -7.289 0.170 -0.035 0.00 0.00 -0.134 NA ENDBRANCH 21 23 ENDBRANCH 12 21 ENDBRANCH 1 14 BRANCH 6 29 ATOM 29 C LIG 1 4.272 -3.563 1.516 0.00 0.00 +0.418 C ATOM 30 F LIG 1 5.588 -3.674 1.190 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.239 -3.210 2.829 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.766 -4.825 1.453 0.00 0.00 -0.166 F ENDBRANCH 6 29 BRANCH 8 33 ATOM 33 C LIG 1 4.216 -0.281 -2.326 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 5.384 0.472 -1.840 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 6.238 0.863 -2.974 0.00 0.00 +0.085 C ATOM 36 C LIG 1 7.495 1.592 -2.499 0.00 0.00 +0.015 C ATOM 37 C LIG 1 7.144 2.808 -1.651 0.00 0.00 +0.002 C ATOM 38 C LIG 1 6.192 2.414 -0.528 0.00 0.00 +0.015 C ATOM 39 C LIG 1 4.976 1.658 -1.067 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 6