REMARK Name = BDB062286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.984 1.500 -1.387 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.104 0.744 -0.601 0.00 0.00 +0.016 A ATOM 3 C LIG 1 1.067 -0.004 -1.188 0.00 0.00 -0.001 A ATOM 4 C LIG 1 0.083 -0.810 -0.360 0.00 0.00 +0.140 C ATOM 5 N LIG 1 -0.786 -1.685 -1.167 0.00 0.00 -0.267 N ATOM 6 C LIG 1 -1.017 -1.445 -2.501 0.00 0.00 +0.308 C ATOM 7 N LIG 1 -0.156 -0.622 -3.154 0.00 0.00 -0.269 N ATOM 8 H LIG 1 -0.328 -0.528 -4.146 0.00 0.00 +0.156 HD ATOM 9 O LIG 1 -1.958 -1.945 -3.122 0.00 0.00 -0.252 OA ATOM 10 C LIG 1 0.897 0.065 -2.566 0.00 0.00 +0.040 A ATOM 11 C LIG 1 1.752 0.829 -3.361 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.800 1.540 -2.772 0.00 0.00 +0.010 A ENDROOT BRANCH 1 15 ATOM 13 C LIG 1 3.776 4.699 -1.612 0.00 0.00 +0.070 C ATOM 14 C LIG 1 4.437 3.606 -0.862 0.00 0.00 +0.088 A ATOM 15 C LIG 1 4.068 2.237 -0.773 0.00 0.00 +0.047 A ATOM 16 C LIG 1 5.021 1.689 0.060 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.289 0.338 0.591 0.00 0.00 +0.090 C ATOM 18 O LIG 1 5.892 2.661 0.443 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 5.533 3.863 -0.137 0.00 0.00 -0.083 NA ENDBRANCH 1 15 BRANCH 4 20 ATOM 20 C LIG 1 0.788 -1.600 0.744 0.00 0.00 -0.022 A ATOM 21 C LIG 1 0.525 -1.315 2.094 0.00 0.00 +0.006 A ATOM 22 C LIG 1 1.172 -2.026 3.105 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.084 -3.029 2.781 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.350 -3.326 1.446 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.706 -2.619 0.431 0.00 0.00 +0.006 A ENDBRANCH 4 20 BRANCH 5 26 ATOM 26 C LIG 1 -1.782 -2.496 -0.467 0.00 0.00 +0.184 C BRANCH 26 27 ATOM 27 C LIG 1 -2.932 -1.637 -0.052 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -3.900 -1.254 -0.948 0.00 0.00 -0.341 N ATOM 29 H LIG 1 -3.905 -1.498 -1.932 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 -4.794 -0.444 -0.298 0.00 0.00 +0.067 A ATOM 31 C LIG 1 -4.317 -0.372 1.010 0.00 0.00 +0.101 A ATOM 32 C LIG 1 -5.024 0.400 1.953 0.00 0.00 +0.064 A ATOM 33 C LIG 1 -6.186 1.072 1.532 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -6.634 0.981 0.211 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -5.944 0.218 -0.736 0.00 0.00 +0.028 A ATOM 36 N LIG 1 -3.158 -1.120 1.139 0.00 0.00 -0.230 NA BRANCH 32 37 ATOM 37 C LIG 1 -4.582 0.520 3.362 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -5.202 1.198 4.174 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 -3.457 -0.160 3.730 0.00 0.00 -0.325 N ATOM 40 H LIG 1 -2.987 -0.780 3.074 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -3.179 -0.151 4.700 0.00 0.00 +0.145 HD ENDBRANCH 32 37 ENDBRANCH 26 27 ENDBRANCH 5 26 TORSDOF 5