REMARK Name = BDB064105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.920 -0.222 0.066 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.812 -1.609 0.024 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.296 -2.224 0.460 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.853 -2.379 -0.483 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.024 -1.758 -0.924 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.170 -0.363 -0.843 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.101 0.403 -0.353 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.141 1.333 1.582 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.157 0.605 0.637 0.00 0.00 +0.250 C ATOM 10 N LIG 1 1.439 0.553 0.086 0.00 0.00 -0.288 N ATOM 11 C LIG 1 1.667 0.136 -1.308 0.00 0.00 +0.184 C ATOM 12 C LIG 1 3.115 0.003 -1.616 0.00 0.00 +0.151 A ATOM 13 N LIG 1 3.668 -0.354 -2.753 0.00 0.00 -0.132 NA ATOM 14 N LIG 1 5.035 -0.308 -2.587 0.00 0.00 -0.126 NA ATOM 15 C LIG 1 5.295 0.056 -1.346 0.00 0.00 +0.200 A ATOM 16 N LIG 1 4.107 0.295 -0.715 0.00 0.00 -0.306 N ATOM 17 C LIG 1 3.841 0.805 0.609 0.00 0.00 +0.144 C ATOM 18 C LIG 1 2.452 1.433 0.674 0.00 0.00 +0.130 C BRANCH 15 19 ATOM 19 C LIG 1 6.614 0.180 -0.808 0.00 0.00 +0.172 A ATOM 20 O LIG 1 7.697 0.451 -1.608 0.00 0.00 -0.451 OA ATOM 21 C LIG 1 8.812 0.498 -0.825 0.00 0.00 +0.171 A ATOM 22 C LIG 1 8.469 0.254 0.486 0.00 0.00 +0.051 A ATOM 23 C LIG 1 7.067 0.043 0.496 0.00 0.00 +0.053 A BRANCH 21 24 ATOM 24 C LIG 1 10.097 0.782 -1.504 0.00 0.00 +0.406 C ATOM 25 F LIG 1 10.511 2.052 -1.240 0.00 0.00 -0.201 F ATOM 26 F LIG 1 11.083 -0.035 -1.038 0.00 0.00 -0.201 F ENDBRANCH 21 24 ENDBRANCH 15 19 ENDBRANCH 1 9 BRANCH 6 27 ATOM 27 C LIG 1 -4.443 0.313 -1.304 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -5.705 -0.300 -0.710 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -6.096 0.005 0.691 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -7.253 -0.602 1.174 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.690 -0.371 2.484 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.960 0.475 3.318 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.801 1.086 2.842 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.020 -1.494 0.289 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -9.045 -2.049 0.670 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -7.519 -1.665 -0.978 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -8.037 -2.275 -1.603 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.367 0.855 1.532 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -6.393 -1.093 -1.479 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5