REMARK Name = BDB065014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.286 -0.939 0.614 0.00 0.00 +0.017 A ATOM 2 C LIG 1 1.277 -1.234 1.545 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.075 -1.817 1.131 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -0.129 -2.102 -0.222 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.869 -1.835 -1.158 0.00 0.00 +0.014 A ATOM 6 C LIG 1 2.064 -1.244 -0.740 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 6.611 1.455 0.611 0.00 0.00 +0.064 A ATOM 8 C LIG 1 5.447 0.742 0.950 0.00 0.00 +0.102 A ATOM 9 C LIG 1 5.270 0.349 2.274 0.00 0.00 +0.067 A ATOM 10 N LIG 1 4.066 -0.310 2.278 0.00 0.00 -0.338 N ATOM 11 H LIG 1 3.640 -0.743 3.082 0.00 0.00 +0.167 HD ATOM 12 C LIG 1 3.556 -0.316 1.001 0.00 0.00 +0.139 A ATOM 13 C LIG 1 6.189 0.620 3.292 0.00 0.00 +0.028 A ATOM 14 C LIG 1 7.340 1.329 2.934 0.00 0.00 +0.003 A ATOM 15 N LIG 1 4.392 0.296 0.185 0.00 0.00 -0.227 NA ATOM 16 C LIG 1 7.553 1.743 1.617 0.00 0.00 +0.015 A BRANCH 7 20 ATOM 17 N LIG 1 8.104 1.742 -1.264 0.00 0.00 -0.325 N ATOM 18 H LIG 1 8.744 1.089 -0.836 0.00 0.00 +0.145 HD ATOM 19 H LIG 1 8.212 1.922 -2.254 0.00 0.00 +0.145 HD ATOM 20 C LIG 1 6.835 1.913 -0.774 0.00 0.00 +0.244 C ATOM 21 O LIG 1 5.962 2.429 -1.457 0.00 0.00 -0.270 OA ENDBRANCH 7 20 ENDBRANCH 1 12 BRANCH 4 22 ATOM 22 C LIG 1 -1.391 -2.724 -0.676 0.00 0.00 +0.247 C ATOM 23 N LIG 1 -2.584 -2.046 -0.452 0.00 0.00 -0.295 N ATOM 24 C LIG 1 -3.834 -2.721 -0.810 0.00 0.00 +0.127 C ATOM 25 C LIG 1 -5.055 -2.088 -0.139 0.00 0.00 +0.127 C ATOM 26 N LIG 1 -5.166 -0.651 -0.410 0.00 0.00 -0.292 N ATOM 27 C LIG 1 -6.394 -0.032 -0.144 0.00 0.00 +0.282 C ATOM 28 O LIG 1 -7.291 -0.662 0.418 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 -3.911 0.067 -0.668 0.00 0.00 +0.127 C ATOM 30 C LIG 1 -2.684 -0.634 -0.059 0.00 0.00 +0.127 C ATOM 31 O LIG 1 -1.328 -3.818 -1.229 0.00 0.00 -0.270 OA BRANCH 27 32 ATOM 32 C LIG 1 -6.576 1.347 -0.563 0.00 0.00 +0.191 A ATOM 33 O LIG 1 -7.359 2.153 0.222 0.00 0.00 -0.439 OA ATOM 34 C LIG 1 -7.412 3.380 -0.362 0.00 0.00 +0.195 A ATOM 35 CL LIG 1 -8.281 4.705 0.299 0.00 0.00 -0.043 Cl ATOM 36 C LIG 1 -6.682 3.376 -1.529 0.00 0.00 +0.063 A ATOM 37 C LIG 1 -6.153 2.069 -1.666 0.00 0.00 +0.056 A ENDBRANCH 27 32 ENDBRANCH 4 22 TORSDOF 4