REMARK Name = BDB034182 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.684 -1.181 -1.434 0.00 0.00 +0.190 C ATOM 2 C LIG 1 -2.187 -0.783 -1.627 0.00 0.00 +0.097 C ATOM 3 C LIG 1 -2.453 -0.593 -3.148 0.00 0.00 +0.022 C ATOM 4 C LIG 1 -1.599 -1.466 -4.069 0.00 0.00 +0.002 C ATOM 5 C LIG 1 -1.210 -2.768 -3.398 0.00 0.00 +0.004 C ATOM 6 C LIG 1 -0.375 -2.513 -2.149 0.00 0.00 +0.046 C ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -2.533 0.474 -0.908 0.00 0.00 -0.295 NA ATOM 8 C LIG 1 -2.772 0.237 0.541 0.00 0.00 +0.094 C ATOM 9 C LIG 1 -4.294 0.209 0.294 0.00 0.00 +0.051 C ATOM 10 C LIG 1 -3.957 0.865 -1.058 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 11 C LIG 1 -5.276 0.966 1.296 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -6.472 0.388 1.772 0.00 0.00 +0.133 A ATOM 13 C LIG 1 -7.310 1.035 2.688 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -7.001 2.319 3.122 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.851 2.941 2.652 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -5.007 2.273 1.759 0.00 0.00 +0.007 A BRANCH 12 17 ATOM 17 O LIG 1 -6.791 -0.891 1.390 0.00 0.00 -0.405 OA BRANCH 17 18 ATOM 18 C LIG 1 -7.730 -0.880 0.320 0.00 0.00 +0.575 C ATOM 19 F LIG 1 -8.920 -0.379 0.716 0.00 0.00 -0.133 F ATOM 20 F LIG 1 -7.270 -0.172 -0.735 0.00 0.00 -0.133 F ATOM 21 F LIG 1 -7.929 -2.154 -0.089 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 12 17 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 1 22 ATOM 22 O LIG 1 -0.383 -1.368 -0.044 0.00 0.00 -0.487 OA BRANCH 22 29 ATOM 23 N LIG 1 5.374 -0.110 0.910 0.00 0.00 -0.282 N ATOM 24 C LIG 1 4.663 -0.329 2.079 0.00 0.00 +0.248 C ATOM 25 O LIG 1 5.066 -0.250 3.223 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 3.285 -0.638 1.685 0.00 0.00 +0.042 A ATOM 27 C LIG 1 3.197 -0.544 0.297 0.00 0.00 -0.015 A ATOM 28 C LIG 1 1.993 -0.778 -0.351 0.00 0.00 +0.051 A ATOM 29 C LIG 1 0.874 -1.102 0.423 0.00 0.00 +0.121 A ATOM 30 C LIG 1 0.988 -1.192 1.828 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.202 -0.957 2.477 0.00 0.00 +0.017 A ATOM 32 C LIG 1 4.528 -0.179 -0.276 0.00 0.00 +0.144 C BRANCH 23 39 ATOM 33 O LIG 1 9.917 2.699 -0.421 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 9.001 2.015 0.023 0.00 0.00 +0.219 C ATOM 35 N LIG 1 8.726 0.777 -0.501 0.00 0.00 -0.255 N ATOM 36 H LIG 1 9.284 0.515 -1.302 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 7.592 0.023 -0.299 0.00 0.00 +0.240 C ATOM 38 O LIG 1 7.340 -0.916 -1.051 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 6.734 0.421 0.913 0.00 0.00 +0.163 C ATOM 40 C LIG 1 6.721 1.945 1.045 0.00 0.00 +0.041 C ATOM 41 C LIG 1 8.144 2.462 1.182 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 7