REMARK Name = BDB041636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.707 -1.772 -0.916 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -2.318 -0.850 -0.042 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.631 0.111 0.679 0.00 0.00 +0.022 A ATOM 4 C LIG 1 -2.616 0.980 1.169 0.00 0.00 +0.141 A ATOM 5 N LIG 1 -3.839 0.610 0.790 0.00 0.00 -0.173 NA ATOM 6 C LIG 1 -0.149 0.078 0.750 0.00 0.00 +0.085 C ATOM 7 C LIG 1 0.384 -0.337 -0.628 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.661 -0.652 0.293 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -0.314 -1.620 -1.171 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.285 -2.376 -1.946 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.348 1.389 1.344 0.00 0.00 -0.016 A ATOM 12 C LIG 1 0.464 2.618 0.664 0.00 0.00 +0.041 A ATOM 13 C LIG 1 0.964 3.752 1.329 0.00 0.00 +0.024 A ATOM 14 C LIG 1 1.339 3.689 2.668 0.00 0.00 +0.002 A ATOM 15 C LIG 1 1.221 2.491 3.358 0.00 0.00 +0.000 A ATOM 16 C LIG 1 0.734 1.358 2.705 0.00 0.00 +0.006 A BRANCH 12 17 ATOM 17 N LIG 1 0.088 2.756 -0.690 0.00 0.00 -0.264 N ATOM 18 C LIG 1 1.073 2.805 -1.681 0.00 0.00 +0.244 C ATOM 19 O LIG 1 2.200 2.339 -1.659 0.00 0.00 -0.270 OA ATOM 20 C LIG 1 0.499 3.503 -2.840 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -0.697 3.958 -2.460 0.00 0.00 -0.003 C ATOM 22 C LIG 1 -1.025 3.604 -1.051 0.00 0.00 +0.141 C ENDBRANCH 12 17 ENDBRANCH 6 11 BRANCH 8 23 ATOM 23 C LIG 1 -4.759 -1.550 0.338 0.00 0.00 +0.067 A ATOM 24 C LIG 1 -6.063 -1.052 0.209 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -7.153 -1.921 0.281 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -6.947 -3.281 0.511 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -5.654 -3.772 0.686 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -4.561 -2.906 0.612 0.00 0.00 +0.028 A ENDBRANCH 8 23 BRANCH 7 29 ATOM 29 N LIG 1 1.845 -0.384 -0.692 0.00 0.00 -0.299 N ATOM 30 H LIG 1 2.298 0.354 -1.225 0.00 0.00 +0.150 HD ATOM 31 C LIG 1 2.586 -1.187 0.141 0.00 0.00 +0.245 C ATOM 32 O LIG 1 2.097 -2.039 0.874 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 4.054 -0.967 0.127 0.00 0.00 +0.037 A ATOM 34 C LIG 1 4.604 0.316 0.002 0.00 0.00 +0.025 A ATOM 35 C LIG 1 5.998 0.497 0.018 0.00 0.00 +0.056 A ATOM 36 C LIG 1 6.827 -0.628 0.151 0.00 0.00 +0.012 A ATOM 37 C LIG 1 6.279 -1.905 0.292 0.00 0.00 +0.001 A ATOM 38 C LIG 1 4.895 -2.073 0.288 0.00 0.00 +0.013 A BRANCH 35 39 ATOM 39 C LIG 1 6.586 1.878 -0.132 0.00 0.00 +0.417 C ATOM 40 F LIG 1 6.665 2.273 -1.432 0.00 0.00 -0.166 F ATOM 41 F LIG 1 7.852 1.976 0.364 0.00 0.00 -0.166 F ATOM 42 F LIG 1 5.865 2.838 0.512 0.00 0.00 -0.166 F ENDBRANCH 35 39 ENDBRANCH 31 33 ENDBRANCH 7 29 BRANCH 1 44 ATOM 43 C LIG 1 -2.120 -4.167 -1.528 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -2.412 -2.697 -1.807 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7