REMARK Name = BDB027237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.661 0.578 0.194 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.857 0.110 0.763 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.016 0.908 0.652 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.979 2.123 -0.033 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.836 2.572 -0.597 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.729 1.804 -0.470 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.158 3.001 -0.199 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.272 3.833 -1.331 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.375 4.665 -1.504 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -5.450 5.440 -2.596 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.388 4.694 -0.558 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.448 5.496 -0.724 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.307 3.894 0.574 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.199 3.056 0.752 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.981 0.420 -0.033 0.00 0.00 +0.038 C ATOM 16 C LIG 1 1.706 0.482 0.869 0.00 0.00 +0.127 C ATOM 17 N LIG 1 0.516 -0.170 0.284 0.00 0.00 -0.327 N ATOM 18 C LIG 1 0.709 -1.116 -0.824 0.00 0.00 +0.105 C ATOM 19 C LIG 1 1.984 -1.913 -0.607 0.00 0.00 +0.021 C ATOM 20 C LIG 1 3.239 -1.047 -0.458 0.00 0.00 +0.025 C BRANCH 15 21 ATOM 21 N LIG 1 2.798 1.262 -1.246 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 1.998 0.935 -1.781 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.576 2.218 -0.971 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 4.176 0.993 0.791 0.00 0.00 +0.078 C BRANCH 24 28 ATOM 25 C LIG 1 8.364 -1.486 1.017 0.00 0.00 +0.065 C ATOM 26 C LIG 1 7.551 -0.423 0.339 0.00 0.00 +0.039 A ATOM 27 N LIG 1 6.308 -0.190 0.822 0.00 0.00 -0.257 NA ATOM 28 C LIG 1 5.555 0.765 0.220 0.00 0.00 +0.043 A ATOM 29 C LIG 1 6.021 1.506 -0.861 0.00 0.00 +0.023 A ATOM 30 C LIG 1 7.301 1.256 -1.345 0.00 0.00 +0.003 A ATOM 31 C LIG 1 8.080 0.278 -0.739 0.00 0.00 +0.023 A ENDBRANCH 24 28 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 32 ATOM 32 C LIG 1 -1.872 -1.172 1.572 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -3.097 -1.940 1.423 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -3.462 -2.683 0.334 0.00 0.00 +0.166 A ATOM 35 C LIG 1 -4.695 -3.219 0.671 0.00 0.00 +0.147 A ATOM 36 C LIG 1 -5.317 -4.025 -0.296 0.00 0.00 +0.147 A ATOM 37 N LIG 1 -4.675 -4.242 -1.467 0.00 0.00 -0.219 NA ATOM 38 C LIG 1 -3.475 -3.651 -1.658 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -5.062 -2.843 1.950 0.00 0.00 -0.231 NA ATOM 40 N LIG 1 -2.787 -2.857 -0.814 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -4.072 -2.088 2.374 0.00 0.00 +0.202 A BRANCH 36 42 ATOM 42 N LIG 1 -6.553 -4.629 -0.103 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -6.809 -4.721 0.873 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 -6.681 -5.433 -0.703 0.00 0.00 +0.144 HD ENDBRANCH 36 42 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8