REMARK Name = BDB007370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.772 1.026 0.467 0.00 0.00 +0.075 C ATOM 2 C LIG 1 -1.539 -0.464 0.873 0.00 0.00 +0.098 C ATOM 3 C LIG 1 -2.568 -1.372 0.215 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -3.294 -2.039 1.202 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -4.300 -2.937 0.914 0.00 0.00 +0.043 A ATOM 6 C LIG 1 -4.580 -3.162 -0.433 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.868 -2.497 -1.446 0.00 0.00 +0.020 A ATOM 8 CL LIG 1 -5.822 -4.274 -0.864 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -2.843 -1.668 2.455 0.00 0.00 -0.284 N ATOM 10 H LIG 1 -3.188 -2.021 3.336 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -2.853 -1.590 -1.125 0.00 0.00 +0.008 A ATOM 12 C LIG 1 -1.791 -0.765 2.374 0.00 0.00 +0.230 C ATOM 13 O LIG 1 -1.179 -0.326 3.334 0.00 0.00 -0.274 OA ATOM 14 C LIG 1 -0.052 -0.742 0.536 0.00 0.00 +0.069 C ATOM 15 C LIG 1 0.269 0.344 -0.497 0.00 0.00 +0.150 C ATOM 16 N LIG 1 -0.467 1.534 -0.002 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 0.068 1.919 0.786 0.00 0.00 +0.123 HD ENDROOT BRANCH 14 18 ATOM 18 C LIG 1 0.316 -2.186 0.235 0.00 0.00 -0.004 A ATOM 19 C LIG 1 0.442 -2.711 -1.058 0.00 0.00 +0.145 A ATOM 20 F LIG 1 0.251 -1.918 -2.123 0.00 0.00 -0.204 F ATOM 21 C LIG 1 0.765 -4.054 -1.268 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 0.913 -4.675 -2.868 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 0.971 -4.904 -0.184 0.00 0.00 +0.023 A ATOM 24 C LIG 1 0.856 -4.404 1.111 0.00 0.00 +0.002 A ATOM 25 C LIG 1 0.533 -3.060 1.317 0.00 0.00 +0.007 A ENDBRANCH 14 18 BRANCH 15 26 ATOM 26 C LIG 1 1.777 0.640 -0.532 0.00 0.00 +0.231 C ATOM 27 N LIG 1 2.443 0.038 -1.578 0.00 0.00 -0.311 N ATOM 28 H LIG 1 1.899 -0.457 -2.276 0.00 0.00 +0.149 HD ATOM 29 O LIG 1 2.328 1.324 0.329 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 C LIG 1 3.880 0.148 -1.805 0.00 0.00 +0.075 C ATOM 31 C LIG 1 4.328 1.584 -2.123 0.00 0.00 +0.037 C ATOM 32 C LIG 1 5.724 1.888 -1.580 0.00 0.00 +0.082 C ATOM 33 N LIG 1 6.611 0.748 -1.786 0.00 0.00 -0.316 NA ATOM 34 H LIG 1 7.568 1.001 -1.537 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 6.199 -0.423 -1.008 0.00 0.00 +0.082 C ATOM 36 C LIG 1 4.705 -0.468 -0.674 0.00 0.00 +0.037 C ENDBRANCH 27 30 ENDBRANCH 15 26 BRANCH 1 37 ATOM 37 C LIG 1 -2.411 1.931 1.543 0.00 0.00 +0.026 C BRANCH 37 39 ATOM 38 C LIG 1 -3.576 3.994 2.348 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -2.921 3.340 1.112 0.00 0.00 -0.036 C ATOM 40 C LIG 1 -3.985 3.233 0.006 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -1.788 4.261 0.635 0.00 0.00 +0.010 C ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 5