REMARK Name = BDB063186 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.412 1.243 -0.546 0.00 0.00 -0.488 OA ENDROOT BRANCH 1 6 ATOM 2 N LIG 1 4.179 -0.156 0.532 0.00 0.00 -0.327 N ATOM 3 C LIG 1 3.855 -0.236 -0.904 0.00 0.00 +0.112 C ATOM 4 C LIG 1 2.651 0.665 -1.212 0.00 0.00 +0.044 C ATOM 5 C LIG 1 2.283 0.573 -2.695 0.00 0.00 +0.013 C ATOM 6 C LIG 1 1.457 0.290 -0.309 0.00 0.00 +0.179 C ATOM 7 C LIG 1 1.879 0.350 1.162 0.00 0.00 +0.064 C ATOM 8 C LIG 1 3.074 -0.562 1.413 0.00 0.00 +0.109 C BRANCH 2 11 ATOM 9 C LIG 1 7.889 -0.415 0.645 0.00 0.00 +0.122 A ATOM 10 C LIG 1 6.588 0.034 0.395 0.00 0.00 +0.071 A ATOM 11 C LIG 1 5.455 -0.688 0.829 0.00 0.00 +0.069 A ATOM 12 C LIG 1 5.689 -1.880 1.537 0.00 0.00 +0.145 A ATOM 13 F LIG 1 4.671 -2.638 1.973 0.00 0.00 -0.204 F ATOM 14 C LIG 1 6.980 -2.343 1.787 0.00 0.00 +0.044 A ATOM 15 C LIG 1 8.076 -1.612 1.337 0.00 0.00 +0.048 A BRANCH 9 16 ATOM 16 O LIG 1 9.047 0.202 0.264 0.00 0.00 -0.492 OA BRANCH 16 18 ATOM 17 C LIG 1 8.827 1.458 -1.800 0.00 0.00 +0.048 C ATOM 18 C LIG 1 8.978 1.516 -0.289 0.00 0.00 +0.225 C ENDBRANCH 16 18 ENDBRANCH 9 16 ENDBRANCH 2 11 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 C LIG 1 -0.887 0.871 -0.362 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -1.347 -0.333 0.152 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -2.726 -0.572 0.289 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -3.692 0.373 -0.084 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -3.195 1.591 -0.579 0.00 0.00 +0.027 A ATOM 24 C LIG 1 -1.823 1.835 -0.721 0.00 0.00 +0.047 A BRANCH 22 25 ATOM 25 N LIG 1 -5.067 0.179 0.072 0.00 0.00 -0.326 N ATOM 26 C LIG 1 -5.654 -1.074 0.606 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -6.883 -1.331 -0.288 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -7.277 0.028 -0.874 0.00 0.00 -0.017 C ATOM 29 C LIG 1 -7.957 -0.144 -2.239 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -8.225 0.815 0.043 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -5.917 0.729 -1.011 0.00 0.00 +0.111 C BRANCH 26 32 ATOM 32 C LIG 1 -6.042 -0.898 2.072 0.00 0.00 +0.142 C BRANCH 32 33 ATOM 33 C LIG 1 -4.878 -1.171 2.980 0.00 0.00 +0.306 C ATOM 34 O LIG 1 -4.705 -2.234 3.559 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -4.033 -0.126 3.107 0.00 0.00 -0.481 OA ATOM 36 H LIG 1 -4.229 0.586 2.460 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 22 25 ENDBRANCH 1 19 TORSDOF 9