REMARK Name = BDB064103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.663 0.528 1.217 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.204 1.330 2.219 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.627 1.408 3.427 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.355 2.074 1.982 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.988 1.998 0.739 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.484 1.163 -0.271 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.308 0.436 -0.024 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 0.491 -1.476 1.082 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.534 -0.303 1.453 0.00 0.00 +0.250 C ATOM 10 N LIG 1 1.658 0.244 2.065 0.00 0.00 -0.288 N ATOM 11 C LIG 1 2.012 1.668 1.984 0.00 0.00 +0.184 C ATOM 12 C LIG 1 3.238 1.817 1.144 0.00 0.00 +0.151 A ATOM 13 N LIG 1 3.728 2.913 0.608 0.00 0.00 -0.132 NA ATOM 14 N LIG 1 4.866 2.567 -0.087 0.00 0.00 -0.126 NA ATOM 15 C LIG 1 5.050 1.267 0.035 0.00 0.00 +0.200 A ATOM 16 N LIG 1 4.058 0.761 0.824 0.00 0.00 -0.306 N ATOM 17 C LIG 1 3.807 -0.608 1.231 0.00 0.00 +0.144 C ATOM 18 C LIG 1 2.781 -0.647 2.363 0.00 0.00 +0.130 C BRANCH 15 19 ATOM 19 C LIG 1 6.115 0.539 -0.579 0.00 0.00 +0.175 A ATOM 20 O LIG 1 6.278 -0.820 -0.454 0.00 0.00 -0.431 OA ATOM 21 C LIG 1 7.384 -1.154 -1.169 0.00 0.00 +0.280 A ATOM 22 C LIG 1 7.954 -0.058 -1.764 0.00 0.00 +0.076 A ATOM 23 C LIG 1 7.135 1.034 -1.383 0.00 0.00 +0.055 A BRANCH 21 24 ATOM 24 N LIG 1 7.741 -2.537 -1.171 0.00 0.00 +0.093 N ATOM 25 O LIG 1 8.738 -2.845 -1.837 0.00 0.00 -0.123 OA ATOM 26 O LIG 1 7.037 -3.313 -0.512 0.00 0.00 -0.123 OA ENDBRANCH 21 24 ENDBRANCH 15 19 ENDBRANCH 1 9 BRANCH 6 27 ATOM 27 C LIG 1 -3.172 1.067 -1.614 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -4.659 0.752 -1.510 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -5.110 -0.637 -1.234 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -6.484 -0.850 -1.135 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -6.993 -2.128 -0.873 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -6.118 -3.201 -0.707 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.743 -2.995 -0.805 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.403 0.286 -1.311 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -8.618 0.146 -1.234 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.818 1.502 -1.565 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.437 2.297 -1.692 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -4.237 -1.718 -1.069 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -5.484 1.747 -1.662 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 5