REMARK Name = BDB008066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.537 0.869 -0.084 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.551 1.907 0.173 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.893 1.911 -0.369 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -2.567 3.004 0.171 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -3.906 3.303 -0.117 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.581 2.456 -0.997 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.945 1.364 -1.573 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -6.229 2.780 -1.380 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -1.675 3.670 0.965 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -1.876 4.523 1.472 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.606 1.086 -1.269 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -0.456 3.030 1.006 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 0.594 3.582 1.820 0.00 0.00 +0.354 C ATOM 14 O LIG 1 0.531 4.609 2.478 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 1.708 2.832 1.832 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 2.302 3.329 2.431 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -0.794 -1.060 0.718 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -1.228 -0.353 1.302 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 0.025 -0.588 -0.302 0.00 0.00 +0.239 C ATOM 20 O LIG 1 0.384 -1.294 -1.242 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -2.346 -2.636 -0.406 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -1.381 -2.408 0.767 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -2.172 -2.529 2.082 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -0.285 -3.488 0.769 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 1.502 1.326 -1.098 0.00 0.00 -0.284 N ATOM 26 C LIG 1 1.103 1.571 -2.398 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.035 1.540 -2.841 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 2.925 1.163 -0.821 0.00 0.00 +0.149 C BRANCH 28 29 ATOM 29 C LIG 1 3.420 -0.246 -0.976 0.00 0.00 +0.040 A ATOM 30 C LIG 1 3.807 -0.742 -2.221 0.00 0.00 +0.131 A ATOM 31 F LIG 1 3.780 0.061 -3.294 0.00 0.00 -0.205 F ATOM 32 C LIG 1 4.242 -2.057 -2.380 0.00 0.00 +0.039 A ATOM 33 C LIG 1 4.294 -2.907 -1.277 0.00 0.00 +0.006 A ATOM 34 C LIG 1 3.915 -2.432 -0.023 0.00 0.00 +0.039 A ATOM 35 C LIG 1 3.484 -1.113 0.115 0.00 0.00 +0.131 A ATOM 36 F LIG 1 3.122 -0.680 1.332 0.00 0.00 -0.205 F ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 8