REMARK Name = BDB051786 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.798 -0.769 0.169 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.489 -0.401 0.456 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -0.524 -1.457 0.453 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -1.880 -1.011 1.018 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.352 0.238 0.406 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.648 0.597 0.058 0.00 0.00 +0.236 C ATOM 7 O LIG 1 -3.871 1.780 -0.250 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.326 1.287 0.264 0.00 0.00 +0.127 C ATOM 9 C LIG 1 0.035 0.929 0.876 0.00 0.00 +0.127 C ATOM 10 O LIG 1 2.146 -1.938 0.012 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.010 1.082 0.822 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.956 0.163 0.931 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.849 0.256 0.078 0.00 0.00 +0.072 A ATOM 14 C LIG 1 2.804 1.244 -0.901 0.00 0.00 +0.135 A ATOM 15 F LIG 1 1.768 1.326 -1.748 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.831 2.175 -1.006 0.00 0.00 +0.039 A ATOM 17 C LIG 1 4.927 2.101 -0.142 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 6.203 0.988 1.747 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 7.138 -1.513 0.389 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.990 -0.282 0.300 0.00 0.00 -0.019 A ATOM 21 C LIG 1 9.157 -0.202 -0.371 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.787 -1.286 -1.196 0.00 0.00 +0.050 C ATOM 23 C LIG 1 9.943 1.066 -0.338 0.00 0.00 +0.268 A ATOM 24 O LIG 1 11.019 1.177 -0.917 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 9.404 2.095 0.380 0.00 0.00 -0.243 N ATOM 26 H LIG 1 9.930 2.962 0.410 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 8.222 2.073 1.042 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 7.543 0.965 1.013 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -4.853 -0.429 0.059 0.00 0.00 +0.096 C ATOM 30 C LIG 1 -4.610 -1.641 -0.874 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -5.686 -2.723 -0.753 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -5.884 -3.161 0.694 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -6.218 -1.979 1.597 0.00 0.00 +0.002 C ATOM 34 C LIG 1 -5.149 -0.886 1.512 0.00 0.00 +0.031 C BRANCH 29 35 ATOM 35 N LIG 1 -6.101 0.319 -0.337 0.00 0.00 -0.303 NA ATOM 36 H LIG 1 -6.047 1.218 0.149 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.237 0.628 -1.761 0.00 0.00 +0.085 C BRANCH 37 38 ATOM 38 C LIG 1 -7.376 1.569 -2.050 0.00 0.00 +0.003 C ATOM 39 C LIG 1 -8.537 1.796 -1.110 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -7.528 2.891 -1.334 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 29 35 ENDBRANCH 6 29 TORSDOF 7