REMARK Name = BDB059634 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.050 -0.211 -0.020 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.976 0.615 -0.484 0.00 0.00 +0.065 A ATOM 3 C LIG 1 -2.306 0.259 -0.265 0.00 0.00 +0.167 A ATOM 4 F LIG 1 -3.278 1.046 -0.748 0.00 0.00 -0.202 F ATOM 5 C LIG 1 -2.628 -0.910 0.423 0.00 0.00 +0.166 A ATOM 6 C LIG 1 -1.616 -1.754 0.868 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.281 -1.398 0.652 0.00 0.00 +0.027 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 2.010 1.183 -0.739 0.00 0.00 +0.254 C ATOM 9 N LIG 1 1.422 0.056 -0.199 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.064 -0.631 0.200 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 1.394 2.184 -1.093 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 7.862 -0.931 0.531 0.00 0.00 -0.047 A ATOM 13 C LIG 1 6.472 -0.847 0.631 0.00 0.00 +0.017 A ATOM 14 C LIG 1 5.759 0.116 -0.106 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.290 0.158 0.009 0.00 0.00 +0.202 A ATOM 16 C LIG 1 3.521 1.121 -0.833 0.00 0.00 +0.103 A ATOM 17 C LIG 1 4.234 1.934 -1.657 0.00 0.00 +0.032 A ATOM 18 N LIG 1 5.646 1.986 -1.662 0.00 0.00 -0.346 N ATOM 19 C LIG 1 6.407 3.075 -2.295 0.00 0.00 +0.149 C ATOM 20 C LIG 1 3.534 2.805 -2.691 0.00 0.00 +0.064 C ATOM 21 O LIG 1 3.716 -0.634 0.757 0.00 0.00 -0.286 OA ATOM 22 C LIG 1 6.405 1.026 -0.951 0.00 0.00 +0.053 A ATOM 23 C LIG 1 7.803 0.908 -1.056 0.00 0.00 +0.027 A ATOM 24 C LIG 1 8.520 -0.052 -0.329 0.00 0.00 +0.005 A BRANCH 12 26 ATOM 25 C LIG 1 8.714 -3.290 0.551 0.00 0.00 +0.009 C ATOM 26 C LIG 1 8.627 -1.973 1.306 0.00 0.00 +0.032 C ENDBRANCH 12 26 ENDBRANCH 8 16 ENDBRANCH 1 9 BRANCH 5 27 ATOM 27 O LIG 1 -3.932 -1.298 0.608 0.00 0.00 -0.434 OA BRANCH 27 28 ATOM 28 C LIG 1 -4.693 -0.475 1.436 0.00 0.00 +0.231 A ATOM 29 C LIG 1 -6.063 -0.392 1.176 0.00 0.00 +0.066 A ATOM 30 C LIG 1 -6.775 0.402 2.076 0.00 0.00 +0.082 A ATOM 31 C LIG 1 -8.146 0.540 1.896 0.00 0.00 +0.078 A ATOM 32 C LIG 1 -8.823 -0.089 0.843 0.00 0.00 +0.164 A ATOM 33 C LIG 1 -8.105 -0.879 -0.069 0.00 0.00 +0.162 A ATOM 34 N LIG 1 -6.189 1.030 3.105 0.00 0.00 -0.235 NA ATOM 35 C LIG 1 -4.866 0.864 3.251 0.00 0.00 +0.225 A ATOM 36 C LIG 1 -6.729 -1.033 0.104 0.00 0.00 +0.064 A ATOM 37 N LIG 1 -4.074 0.126 2.472 0.00 0.00 -0.201 NA BRANCH 33 38 ATOM 38 O LIG 1 -8.832 -1.462 -1.075 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -8.115 -2.122 -2.109 0.00 0.00 +0.277 C ENDBRANCH 33 38 BRANCH 32 40 ATOM 40 O LIG 1 -10.174 0.014 0.619 0.00 0.00 -0.491 OA ATOM 41 C LIG 1 -10.943 0.766 1.548 0.00 0.00 +0.277 C ENDBRANCH 32 40 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7