REMARK Name = BDB039341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.406 -2.238 -0.058 0.00 0.00 +0.055 A ATOM 2 N LIG 1 0.878 -3.070 -1.084 0.00 0.00 -0.299 N ATOM 3 C LIG 1 2.226 -3.247 -1.359 0.00 0.00 +0.066 A ATOM 4 C LIG 1 2.275 -4.125 -2.417 0.00 0.00 +0.138 A ATOM 5 N LIG 1 1.012 -4.497 -2.803 0.00 0.00 -0.243 NA ATOM 6 C LIG 1 3.172 -2.547 -0.564 0.00 0.00 +0.032 A ATOM 7 C LIG 1 2.746 -1.728 0.425 0.00 0.00 -0.030 A ATOM 8 C LIG 1 0.201 -3.852 -1.991 0.00 0.00 +0.204 A ATOM 9 C LIG 1 1.310 -1.576 0.695 0.00 0.00 +0.031 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 -5.276 -0.199 0.126 0.00 0.00 -0.282 N ATOM 11 C LIG 1 -5.118 -1.367 0.865 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -5.958 -1.992 1.482 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -3.708 -1.755 0.764 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.083 -0.882 -0.121 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -1.735 -1.022 -0.407 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -1.026 -2.062 0.219 0.00 0.00 -0.001 A ATOM 17 C LIG 1 -1.680 -2.938 1.115 0.00 0.00 +0.011 A ATOM 18 C LIG 1 -3.041 -2.789 1.392 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -4.075 0.095 -0.656 0.00 0.00 +0.144 C BRANCH 10 26 ATOM 20 O LIG 1 -6.492 4.143 1.428 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -6.660 3.024 0.951 0.00 0.00 +0.219 C ATOM 22 N LIG 1 -6.609 2.825 -0.405 0.00 0.00 -0.255 N ATOM 23 H LIG 1 -6.438 3.653 -0.960 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -6.486 1.626 -1.067 0.00 0.00 +0.240 C ATOM 25 O LIG 1 -6.162 1.609 -2.255 0.00 0.00 -0.273 OA ATOM 26 C LIG 1 -6.594 0.350 -0.217 0.00 0.00 +0.163 C ATOM 27 C LIG 1 -7.467 0.661 1.005 0.00 0.00 +0.041 C ATOM 28 C LIG 1 -6.862 1.800 1.810 0.00 0.00 +0.098 C ENDBRANCH 10 26 ENDBRANCH 1 16 BRANCH 7 29 ATOM 29 C LIG 1 3.709 -0.973 1.311 0.00 0.00 +0.116 C BRANCH 29 30 ATOM 30 N LIG 1 3.686 0.459 1.008 0.00 0.00 -0.312 NA ATOM 31 H LIG 1 2.755 0.821 1.208 0.00 0.00 +0.122 HD BRANCH 30 32 ATOM 32 C LIG 1 4.663 1.219 1.798 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 6.112 1.110 1.292 0.00 0.00 +0.051 C BRANCH 33 34 ATOM 34 C LIG 1 6.334 1.769 -0.052 0.00 0.00 -0.028 A ATOM 35 C LIG 1 6.605 3.140 -0.195 0.00 0.00 +0.044 A ATOM 36 CL LIG 1 6.718 4.197 1.169 0.00 0.00 -0.083 Cl ATOM 37 C LIG 1 6.793 3.701 -1.462 0.00 0.00 +0.020 A ATOM 38 C LIG 1 6.706 2.904 -2.603 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.428 1.546 -2.479 0.00 0.00 +0.000 A ATOM 40 C LIG 1 6.242 0.984 -1.215 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 7