REMARK Name = BDB009352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.773 0.686 0.494 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.705 1.808 1.312 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.262 1.937 2.232 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.647 2.824 1.188 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.677 2.706 0.252 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.783 1.562 -0.557 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.812 0.555 -0.436 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 N LIG 1 4.460 0.216 -0.093 0.00 0.00 -0.291 NA ATOM 9 C LIG 1 3.918 -0.742 0.901 0.00 0.00 +0.104 C ATOM 10 C LIG 1 2.495 -1.259 0.619 0.00 0.00 +0.123 C ATOM 11 N LIG 1 1.540 -0.171 0.406 0.00 0.00 -0.295 N ATOM 12 C LIG 1 0.194 -0.416 0.637 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -0.255 -1.521 0.934 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.088 1.062 -0.168 0.00 0.00 +0.123 C ATOM 15 C LIG 1 3.397 0.800 -0.935 0.00 0.00 +0.104 C BRANCH 8 16 ATOM 16 C LIG 1 5.509 -0.386 -0.944 0.00 0.00 +0.180 C BRANCH 16 19 ATOM 17 C LIG 1 8.670 -0.067 1.225 0.00 0.00 +0.131 C ATOM 18 N LIG 1 7.571 0.285 0.343 0.00 0.00 -0.307 N ATOM 19 C LIG 1 6.768 -0.748 -0.139 0.00 0.00 +0.229 C ATOM 20 O LIG 1 7.050 -1.937 0.045 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 7.145 1.675 0.380 0.00 0.00 +0.131 C ENDBRANCH 16 19 ENDBRANCH 8 16 ENDBRANCH 1 12 BRANCH 6 22 ATOM 22 C LIG 1 -3.905 1.466 -1.570 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 C LIG 1 -4.482 0.068 -1.748 0.00 0.00 +0.087 A ATOM 24 C LIG 1 -5.383 -0.490 -0.680 0.00 0.00 +0.059 A ATOM 25 N LIG 1 -5.643 0.209 0.497 0.00 0.00 -0.342 N ATOM 26 H LIG 1 -4.878 0.817 0.783 0.00 0.00 +0.146 HD ATOM 27 C LIG 1 -6.269 -0.477 1.625 0.00 0.00 +0.102 C ATOM 28 C LIG 1 -7.383 -1.385 1.110 0.00 0.00 +0.023 C ATOM 29 C LIG 1 -6.857 -2.357 0.046 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -5.921 -1.695 -0.927 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -5.584 -2.425 -2.169 0.00 0.00 +0.270 A ATOM 32 O LIG 1 -6.060 -3.528 -2.419 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 -4.704 -1.802 -3.013 0.00 0.00 -0.243 N ATOM 34 H LIG 1 -4.461 -2.290 -3.869 0.00 0.00 +0.192 HD ATOM 35 N LIG 1 -4.162 -0.566 -2.838 0.00 0.00 -0.174 NA ENDBRANCH 22 23 ENDBRANCH 6 22 TORSDOF 5