REMARK Name = BDB009344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.491 0.529 0.771 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.507 1.481 1.785 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.347 1.409 2.815 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.418 2.532 1.745 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.332 2.620 0.693 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.356 1.646 -0.320 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.417 0.603 -0.278 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.049 -1.735 0.857 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.442 -0.609 0.817 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.808 -0.369 0.786 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.718 -1.509 0.909 0.00 0.00 +0.127 C ATOM 12 C LIG 1 4.110 -1.117 1.436 0.00 0.00 +0.124 C ATOM 13 N LIG 1 4.725 -0.050 0.622 0.00 0.00 -0.327 N ATOM 14 C LIG 1 3.817 0.814 -0.149 0.00 0.00 +0.124 C ATOM 15 C LIG 1 2.435 0.932 0.524 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 6.102 0.084 0.541 0.00 0.00 +0.033 A ATOM 17 C LIG 1 6.955 -0.439 1.525 0.00 0.00 +0.061 A ATOM 18 C LIG 1 8.340 -0.296 1.438 0.00 0.00 +0.125 A ATOM 19 F LIG 1 9.115 -0.807 2.405 0.00 0.00 -0.205 F ATOM 20 C LIG 1 8.929 0.366 0.374 0.00 0.00 +0.038 A ATOM 21 C LIG 1 8.115 0.896 -0.618 0.00 0.00 +0.005 A ATOM 22 C LIG 1 6.723 0.754 -0.530 0.00 0.00 +0.023 A ENDBRANCH 13 16 ENDBRANCH 1 9 BRANCH 6 23 ATOM 23 C LIG 1 -3.352 1.771 -1.454 0.00 0.00 +0.094 C BRANCH 23 24 ATOM 24 C LIG 1 -3.933 0.448 -1.935 0.00 0.00 +0.087 A ATOM 25 C LIG 1 -4.969 -0.243 -1.092 0.00 0.00 +0.059 A ATOM 26 N LIG 1 -5.356 0.259 0.148 0.00 0.00 -0.342 N ATOM 27 H LIG 1 -4.621 0.779 0.622 0.00 0.00 +0.146 HD ATOM 28 C LIG 1 -6.132 -0.579 1.060 0.00 0.00 +0.102 C ATOM 29 C LIG 1 -7.193 -1.340 0.269 0.00 0.00 +0.023 C ATOM 30 C LIG 1 -6.560 -2.142 -0.875 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -5.497 -1.366 -1.604 0.00 0.00 +0.041 A ATOM 32 C LIG 1 -5.026 -1.892 -2.904 0.00 0.00 +0.270 A ATOM 33 O LIG 1 -5.489 -2.917 -3.392 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -4.036 -1.173 -3.520 0.00 0.00 -0.243 N ATOM 35 H LIG 1 -3.701 -1.519 -4.413 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -3.495 -0.007 -3.073 0.00 0.00 -0.174 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 4