REMARK Name = BDB034181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.932 1.454 2.244 0.00 0.00 +0.190 C ATOM 2 C LIG 1 2.379 0.863 2.359 0.00 0.00 +0.097 C ATOM 3 C LIG 1 3.044 1.406 3.640 0.00 0.00 +0.022 C ATOM 4 C LIG 1 3.180 2.933 3.644 0.00 0.00 +0.002 C ATOM 5 C LIG 1 2.036 3.645 2.923 0.00 0.00 +0.004 C ATOM 6 C LIG 1 0.762 2.815 2.938 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 3.215 1.213 1.185 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 4.447 0.369 1.134 0.00 0.00 +0.094 C ATOM 9 C LIG 1 4.233 0.251 -0.397 0.00 0.00 +0.047 C ATOM 10 C LIG 1 2.744 0.509 -0.043 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 4.623 -1.093 -1.150 0.00 0.00 -0.038 A ATOM 12 C LIG 1 5.447 -1.077 -2.297 0.00 0.00 +0.050 A ATOM 13 C LIG 1 5.782 -2.236 -3.011 0.00 0.00 +0.130 A ATOM 14 C LIG 1 5.309 -3.466 -2.566 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.502 -3.526 -1.431 0.00 0.00 +0.004 A ATOM 16 C LIG 1 4.168 -2.360 -0.739 0.00 0.00 +0.004 A BRANCH 13 17 ATOM 17 O LIG 1 6.579 -2.024 -4.102 0.00 0.00 -0.406 OA BRANCH 17 18 ATOM 18 C LIG 1 6.703 -3.091 -5.028 0.00 0.00 +0.575 C ATOM 19 F LIG 1 7.391 -4.122 -4.497 0.00 0.00 -0.133 F ATOM 20 F LIG 1 5.494 -3.526 -5.439 0.00 0.00 -0.133 F ATOM 21 F LIG 1 7.382 -2.653 -6.111 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 22 ATOM 22 O LIG 1 0.038 0.513 2.870 0.00 0.00 -0.487 OA BRANCH 22 29 ATOM 23 N LIG 1 -5.049 0.347 -0.244 0.00 0.00 -0.282 N ATOM 24 C LIG 1 -4.836 -0.798 0.510 0.00 0.00 +0.248 C ATOM 25 O LIG 1 -5.526 -1.796 0.584 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 -3.569 -0.606 1.224 0.00 0.00 +0.042 A ATOM 27 C LIG 1 -3.016 0.603 0.808 0.00 0.00 -0.015 A ATOM 28 C LIG 1 -1.804 1.038 1.324 0.00 0.00 +0.051 A ATOM 29 C LIG 1 -1.153 0.227 2.260 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -1.737 -0.987 2.676 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -2.958 -1.421 2.155 0.00 0.00 +0.017 A ATOM 32 C LIG 1 -3.907 1.248 -0.199 0.00 0.00 +0.144 C BRANCH 23 39 ATOM 33 O LIG 1 -8.949 -0.594 -4.017 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 -8.129 -0.366 -3.133 0.00 0.00 +0.219 C ATOM 35 N LIG 1 -6.803 -0.680 -3.302 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -6.565 -1.114 -4.182 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -5.739 -0.253 -2.539 0.00 0.00 +0.240 C ATOM 38 O LIG 1 -4.588 -0.371 -2.956 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 -6.093 0.497 -1.248 0.00 0.00 +0.163 C ATOM 40 C LIG 1 -7.487 0.107 -0.756 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -8.500 0.358 -1.861 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 7