REMARK Name = BDB008073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.995 0.298 -0.210 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.057 1.131 0.640 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.267 2.506 0.338 0.00 0.00 +0.006 A ATOM 4 C LIG 1 1.109 2.978 1.339 0.00 0.00 +0.049 A ATOM 5 C LIG 1 1.631 4.278 1.352 0.00 0.00 +0.046 A ATOM 6 C LIG 1 1.279 5.121 0.296 0.00 0.00 +0.043 A ATOM 7 C LIG 1 0.439 4.689 -0.725 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 1.900 6.727 0.260 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 1.275 1.955 2.232 0.00 0.00 -0.349 N ATOM 10 H LIG 1 1.824 2.008 3.081 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -0.076 3.386 -0.713 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 0.641 0.807 1.808 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.786 -0.394 2.586 0.00 0.00 +0.354 C ATOM 14 O LIG 1 1.257 -0.475 3.709 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 0.424 -1.497 1.910 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 0.565 -2.208 2.568 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -2.106 -1.916 -0.096 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -1.494 -2.111 -0.879 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.872 -0.724 0.574 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -2.391 -0.452 1.655 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -2.930 -4.135 -0.660 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.905 -3.037 0.420 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -2.273 -3.620 1.693 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -4.354 -2.606 0.698 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.333 -0.238 -1.421 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -1.033 -0.250 -2.616 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.698 -0.847 -3.630 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 0.955 -0.932 -1.353 0.00 0.00 +0.149 C BRANCH 28 29 ATOM 29 C LIG 1 2.157 -0.027 -1.301 0.00 0.00 +0.043 A ATOM 30 C LIG 1 2.315 1.065 -2.163 0.00 0.00 +0.169 A ATOM 31 F LIG 1 1.376 1.345 -3.077 0.00 0.00 -0.202 F ATOM 32 C LIG 1 3.434 1.889 -2.083 0.00 0.00 +0.194 A ATOM 33 F LIG 1 3.554 2.939 -2.907 0.00 0.00 -0.199 F ATOM 34 C LIG 1 4.425 1.619 -1.151 0.00 0.00 +0.164 A ATOM 35 F LIG 1 5.506 2.406 -1.067 0.00 0.00 -0.202 F ATOM 36 C LIG 1 4.316 0.525 -0.304 0.00 0.00 +0.080 A ATOM 37 C LIG 1 3.190 -0.289 -0.393 0.00 0.00 +0.134 A ATOM 38 F LIG 1 3.104 -1.346 0.428 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8