REMARK Name = BDB018610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.492 -0.276 -0.420 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.037 0.791 0.349 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.175 0.765 0.919 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.833 1.919 0.535 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.108 1.971 -0.028 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.606 0.887 -0.767 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.782 -0.231 -0.967 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -4.464 0.677 -2.275 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.691 0.030 -1.120 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -4.375 -1.135 -0.576 0.00 0.00 -0.303 N ATOM 11 C LIG 1 -3.824 -2.393 -0.517 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -4.712 -3.226 -0.021 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -5.805 -2.487 0.365 0.00 0.00 -0.126 NA ATOM 14 C LIG 1 -2.420 -2.679 -0.905 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.661 -1.429 -0.888 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.304 -1.509 -0.595 0.00 0.00 +0.250 C ATOM 17 O LIG 1 0.289 -2.579 -0.463 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -5.562 -1.217 0.101 0.00 0.00 +0.200 A ATOM 19 C LIG 1 -2.277 -0.330 -1.633 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -6.414 -0.141 0.506 0.00 0.00 +0.172 A ATOM 21 O LIG 1 -6.087 1.188 0.383 0.00 0.00 -0.460 OA ATOM 22 C LIG 1 -7.117 1.918 0.879 0.00 0.00 +0.196 A ATOM 23 C LIG 1 -8.110 1.092 1.344 0.00 0.00 +0.042 A ATOM 24 C LIG 1 -7.660 -0.228 1.108 0.00 0.00 +0.053 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 25 ATOM 25 C LIG 1 3.995 0.926 -1.361 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 5.079 1.270 -0.347 0.00 0.00 +0.074 A ATOM 27 C LIG 1 5.579 0.232 0.592 0.00 0.00 +0.011 A ATOM 28 C LIG 1 6.573 0.616 1.491 0.00 0.00 +0.050 A ATOM 29 C LIG 1 7.104 -0.302 2.407 0.00 0.00 +0.014 A ATOM 30 C LIG 1 6.629 -1.612 2.426 0.00 0.00 +0.001 A ATOM 31 C LIG 1 5.632 -2.002 1.533 0.00 0.00 +0.001 A ATOM 32 C LIG 1 7.067 2.002 1.468 0.00 0.00 +0.272 A ATOM 33 O LIG 1 7.949 2.382 2.230 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 6.487 2.835 0.544 0.00 0.00 -0.242 N ATOM 35 H LIG 1 6.821 3.793 0.510 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 5.107 -1.085 0.615 0.00 0.00 +0.010 A ATOM 37 N LIG 1 5.521 2.494 -0.349 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4