REMARK Name = BDB008067 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.212 -0.095 -0.330 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.041 1.390 -0.512 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.240 2.130 -0.201 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -0.959 3.482 -0.392 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -1.891 4.501 -0.152 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -3.161 4.121 0.287 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.485 2.784 0.484 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -4.345 5.335 0.590 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 0.340 3.569 -0.823 0.00 0.00 -0.349 N ATOM 10 H LIG 1 0.824 4.433 -1.038 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.535 1.782 0.246 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 0.862 2.317 -1.038 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 2.146 2.142 -1.662 0.00 0.00 +0.354 C ATOM 14 O LIG 1 3.142 2.803 -1.425 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 2.102 1.185 -2.617 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 1.185 0.942 -2.858 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -1.380 -1.954 0.077 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -0.831 -2.071 0.922 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -0.964 -0.983 -0.813 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -1.456 -0.831 -1.930 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -2.591 -3.808 1.091 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.439 -2.944 -0.174 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -2.061 -3.860 -1.348 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.785 -2.255 -0.451 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 0.724 -0.395 1.021 0.00 0.00 -0.284 N ATOM 26 C LIG 1 0.034 -0.062 2.171 0.00 0.00 +0.329 C ATOM 27 O LIG 1 0.279 -0.494 3.290 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 1.921 -1.225 1.143 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 C LIG 1 3.184 -0.503 0.749 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.675 0.552 1.532 0.00 0.00 +0.166 A ATOM 31 F LIG 1 3.008 0.928 2.633 0.00 0.00 -0.202 F ATOM 32 C LIG 1 4.851 1.213 1.194 0.00 0.00 +0.194 A ATOM 33 F LIG 1 5.309 2.208 1.967 0.00 0.00 -0.199 F ATOM 34 C LIG 1 5.555 0.825 0.064 0.00 0.00 +0.161 A ATOM 35 F LIG 1 6.699 1.441 -0.264 0.00 0.00 -0.202 F ATOM 36 C LIG 1 5.091 -0.218 -0.734 0.00 0.00 +0.042 A ATOM 37 C LIG 1 3.909 -0.884 -0.392 0.00 0.00 +0.011 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8