REMARK Name = BDB035648 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.294 1.653 -0.149 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.292 0.393 -0.314 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.195 -0.722 -0.336 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.738 0.608 -0.458 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.734 -0.332 -0.650 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.054 0.126 -0.757 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.323 1.513 -0.653 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.296 2.456 -0.457 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.995 1.970 -0.363 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.713 2.708 -0.151 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.029 1.176 0.075 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.652 0.921 -0.089 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.681 1.932 0.006 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.120 3.240 0.253 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.476 3.526 0.409 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.419 2.506 0.321 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.114 0.073 -0.025 0.00 0.00 +0.055 C ATOM 18 C LIG 1 -4.583 -1.396 -0.166 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -4.343 -1.810 -1.617 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -5.641 -1.809 -2.422 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -6.656 -0.783 -1.920 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -5.966 0.429 -1.298 0.00 0.00 +0.019 C BRANCH 17 25 ATOM 23 C LIG 1 -4.251 -0.035 3.055 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -5.589 0.040 2.532 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.008 0.097 1.221 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -7.330 0.162 1.223 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -7.771 0.158 2.522 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.717 0.084 3.295 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.583 3.928 -0.340 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.894 4.252 -0.495 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.902 4.658 -1.267 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.209 4.429 0.869 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.193 -0.853 -0.950 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.963 -0.980 0.289 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.310 -1.174 1.050 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.050 -1.967 0.171 0.00 0.00 +0.017 C ATOM 37 C LIG 1 6.471 -3.410 0.211 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.536 -3.741 1.278 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.586 -2.234 1.610 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.115 -1.628 -0.856 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7