REMARK Name = BDB065327 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.636 -0.471 -0.270 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.372 0.445 -1.283 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.812 0.459 -1.909 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.337 1.373 -1.659 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.589 1.366 -1.037 0.00 0.00 +0.008 A ATOM 6 C LIG 1 -2.893 0.416 -0.047 0.00 0.00 -0.027 A ATOM 7 C LIG 1 -1.897 -0.495 0.340 0.00 0.00 +0.021 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 3.560 1.069 -0.648 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.387 0.648 0.813 0.00 0.00 +0.105 C ATOM 10 N LIG 1 4.296 -0.432 1.156 0.00 0.00 -0.304 N ATOM 11 C LIG 1 3.906 -1.748 1.190 0.00 0.00 +0.152 A ATOM 12 N LIG 1 4.941 -2.491 1.509 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 6.014 -1.655 1.686 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 2.512 -2.204 0.943 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.630 -1.106 0.537 0.00 0.00 -0.288 N ATOM 16 C LIG 1 0.355 -1.489 0.120 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.013 -2.662 0.082 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.631 -0.403 1.482 0.00 0.00 +0.183 A ATOM 19 C LIG 1 1.938 0.216 1.099 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 6.509 0.767 1.586 0.00 0.00 +0.108 A ATOM 21 N LIG 1 5.929 1.988 1.481 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 6.738 3.068 1.584 0.00 0.00 +0.111 A ATOM 23 C LIG 1 8.105 2.994 1.789 0.00 0.00 +0.020 A ATOM 24 C LIG 1 8.684 1.736 1.895 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.877 0.606 1.794 0.00 0.00 +0.031 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 -4.254 0.388 0.623 0.00 0.00 +0.162 C BRANCH 26 27 ATOM 27 N LIG 1 -5.374 0.338 -0.317 0.00 0.00 -0.289 N ATOM 28 C LIG 1 -5.739 -0.879 -0.974 0.00 0.00 +0.059 A ATOM 29 C LIG 1 -6.805 -0.879 -1.882 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -7.196 -2.045 -2.556 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.519 -3.238 -2.325 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.458 -3.260 -1.425 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -7.532 0.374 -2.135 0.00 0.00 +0.262 A ATOM 34 O LIG 1 -8.457 0.441 -2.935 0.00 0.00 -0.267 OA ATOM 35 N LIG 1 -7.109 1.463 -1.426 0.00 0.00 -0.274 N ATOM 36 H LIG 1 -7.590 2.331 -1.602 0.00 0.00 +0.173 HD ATOM 37 C LIG 1 -5.073 -2.093 -0.754 0.00 0.00 +0.027 A ATOM 38 C LIG 1 -6.057 1.521 -0.559 0.00 0.00 +0.330 A ATOM 39 O LIG 1 -5.761 2.603 -0.052 0.00 0.00 -0.246 OA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4