REMARK Name = BDB026556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.872 0.891 -0.115 0.00 0.00 +0.075 C ATOM 2 C LIG 1 2.186 1.621 -0.479 0.00 0.00 +0.034 C ATOM 3 C LIG 1 3.207 0.696 -1.147 0.00 0.00 +0.086 C ATOM 4 N LIG 1 3.513 -0.452 -0.285 0.00 0.00 -0.298 NA ATOM 5 C LIG 1 2.300 -1.225 0.015 0.00 0.00 +0.086 C ATOM 6 C LIG 1 1.242 -0.361 0.708 0.00 0.00 +0.034 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 0.140 0.552 -1.411 0.00 0.00 +0.311 C ATOM 8 O LIG 1 0.088 1.256 -2.409 0.00 0.00 -0.250 OA BRANCH 7 9 ATOM 9 O LIG 1 -0.510 -0.626 -1.393 0.00 0.00 -0.480 OA ATOM 10 H LIG 1 -1.034 -0.615 -2.221 0.00 0.00 +0.295 HD ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 1 11 ATOM 11 C LIG 1 -0.020 1.867 0.693 0.00 0.00 +0.076 C BRANCH 11 14 ATOM 12 C LIG 1 -3.578 0.885 0.492 0.00 0.00 +0.125 A ATOM 13 N LIG 1 -2.359 1.383 0.180 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -1.365 1.320 1.104 0.00 0.00 +0.080 A ATOM 15 C LIG 1 -1.559 0.774 2.365 0.00 0.00 +0.148 A ATOM 16 F LIG 1 -0.555 0.737 3.254 0.00 0.00 -0.203 F ATOM 17 C LIG 1 -2.807 0.268 2.702 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -3.064 -0.279 4.072 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -3.830 0.342 1.748 0.00 0.00 +0.050 A BRANCH 12 20 ATOM 20 N LIG 1 -4.523 0.989 -0.522 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -4.136 1.564 -1.262 0.00 0.00 +0.155 HD BRANCH 20 27 ATOM 22 C LIG 1 -8.636 -1.815 -0.577 0.00 0.00 +0.065 C ATOM 23 C LIG 1 -7.545 -0.838 -0.775 0.00 0.00 +0.035 A ATOM 24 N LIG 1 -7.588 0.124 -1.742 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -8.324 0.304 -2.417 0.00 0.00 +0.189 HD ATOM 26 N LIG 1 -6.491 0.892 -1.783 0.00 0.00 -0.158 NA ATOM 27 C LIG 1 -5.727 0.450 -0.780 0.00 0.00 +0.146 A ATOM 28 C LIG 1 -6.336 -0.655 -0.139 0.00 0.00 +0.068 A ENDBRANCH 20 27 ENDBRANCH 12 20 ENDBRANCH 11 14 ENDBRANCH 1 11 BRANCH 4 29 ATOM 29 C LIG 1 4.534 -1.334 -0.879 0.00 0.00 +0.122 C BRANCH 29 30 ATOM 30 C LIG 1 5.919 -0.734 -0.877 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.682 -0.719 0.295 0.00 0.00 +0.163 A ATOM 32 F LIG 1 6.197 -1.267 1.419 0.00 0.00 -0.202 F ATOM 33 C LIG 1 7.954 -0.156 0.305 0.00 0.00 +0.159 A ATOM 34 F LIG 1 8.681 -0.151 1.432 0.00 0.00 -0.202 F ATOM 35 C LIG 1 8.492 0.402 -0.851 0.00 0.00 +0.041 A ATOM 36 C LIG 1 7.746 0.393 -2.029 0.00 0.00 +0.003 A ATOM 37 C LIG 1 6.467 -0.172 -2.043 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 8