REMARK Name = BDB008070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.072 0.517 0.578 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.141 1.844 1.296 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.049 3.115 0.613 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.313 4.136 1.483 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -0.264 5.494 1.143 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.178 5.818 -0.142 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.547 4.830 -1.048 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 0.263 7.474 -0.610 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -0.716 3.534 2.640 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.053 4.026 3.458 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 0.483 3.479 -0.684 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.490 2.172 2.613 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -0.675 1.450 3.840 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -1.441 1.741 4.747 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 0.245 0.483 4.029 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 0.025 0.184 4.936 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -0.911 -1.064 -1.060 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -0.626 -1.728 -0.352 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -0.922 0.255 -0.610 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -1.525 1.142 -1.208 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.263 -1.476 -1.706 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.788 -1.591 -2.116 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -1.443 -3.080 -2.306 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -1.550 -0.875 -3.455 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 0.239 -0.658 1.446 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -0.846 -1.220 2.086 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -2.012 -0.883 1.940 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 1.592 -1.101 1.756 0.00 0.00 +0.149 C BRANCH 28 29 ATOM 29 C LIG 1 2.164 -1.968 0.670 0.00 0.00 +0.040 A ATOM 30 C LIG 1 1.754 -3.294 0.518 0.00 0.00 +0.134 A ATOM 31 F LIG 1 0.845 -3.806 1.359 0.00 0.00 -0.205 F ATOM 32 C LIG 1 2.256 -4.101 -0.497 0.00 0.00 +0.077 A ATOM 33 C LIG 1 3.188 -3.570 -1.378 0.00 0.00 +0.129 A ATOM 34 F LIG 1 3.678 -4.337 -2.359 0.00 0.00 -0.205 F ATOM 35 C LIG 1 3.620 -2.256 -1.257 0.00 0.00 +0.077 A ATOM 36 C LIG 1 3.104 -1.468 -0.234 0.00 0.00 +0.134 A ATOM 37 F LIG 1 3.517 -0.198 -0.129 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8