REMARK Name = BDB037752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.260 2.433 0.031 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.161 1.595 -0.643 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.964 0.243 -0.843 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.220 -0.261 -1.257 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -3.122 0.727 -1.345 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.337 -0.425 -0.569 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.450 0.643 -0.488 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.411 1.877 -1.187 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.013 1.898 0.310 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.802 2.432 1.099 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.149 -1.286 0.674 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.308 -0.782 1.905 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.444 -1.621 3.015 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.115 -2.965 2.906 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.240 -3.764 3.974 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.350 -3.489 1.709 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.486 -2.653 0.599 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.929 3.086 -1.731 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.076 4.121 -2.140 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.607 5.282 -2.706 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -3.984 5.409 -2.884 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.834 4.370 -2.510 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.310 3.206 -1.944 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.715 0.148 0.059 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.136 0.723 0.782 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.454 -0.812 -0.590 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.083 -1.341 -1.631 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.759 -1.178 0.025 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.993 -1.056 1.402 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.236 -1.422 1.949 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.239 -1.906 1.095 0.00 0.00 +0.012 A ATOM 32 C LIG 1 7.003 -2.043 -0.273 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.764 -1.686 -0.806 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.489 -1.267 3.430 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.510 -2.043 3.888 0.00 0.00 -0.166 F ATOM 36 F LIG 1 5.405 -1.592 4.187 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.810 0.012 3.763 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.133 3.232 2.216 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.671 3.606 0.813 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.606 -1.697 -1.543 0.00 0.00 +0.133 C BRANCH 40 41 ATOM 41 N LIG 1 -3.322 -1.764 -2.863 0.00 0.00 -0.274 N ATOM 42 H LIG 1 -2.708 -1.427 -3.611 0.00 0.00 +0.158 HD BRANCH 41 43 ATOM 43 C LIG 1 -4.627 -1.492 -3.014 0.00 0.00 +0.167 C ATOM 44 N LIG 1 -5.755 -1.290 -3.166 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 40 41 BRANCH 40 45 ATOM 45 C LIG 1 -3.414 -2.322 -0.402 0.00 0.00 +0.057 C BRANCH 45 46 ATOM 46 C LIG 1 -3.583 -3.825 -0.575 0.00 0.00 +0.158 C BRANCH 46 47 ATOM 47 O LIG 1 -4.274 -4.362 0.546 0.00 0.00 -0.395 OA ATOM 48 H LIG 1 -5.171 -3.983 0.545 0.00 0.00 +0.209 HD ENDBRANCH 46 47 ENDBRANCH 45 46 ENDBRANCH 40 45 ENDBRANCH 4 40 TORSDOF 12