REMARK Name = BDB019264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.625 -0.828 0.397 0.00 0.00 -0.035 A ATOM 2 C LIG 1 4.549 -1.402 -0.305 0.00 0.00 +0.034 A ATOM 3 C LIG 1 3.359 -0.674 -0.452 0.00 0.00 +0.090 A ATOM 4 N LIG 1 2.191 -1.031 -1.084 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 1.383 -0.003 -0.933 0.00 0.00 +0.116 A ATOM 6 C LIG 1 -0.040 0.099 -1.397 0.00 0.00 +0.082 C ATOM 7 C LIG 1 -0.951 -0.737 -0.468 0.00 0.00 +0.068 C ATOM 8 C LIG 1 -2.220 0.124 -0.334 0.00 0.00 +0.134 C ATOM 9 C LIG 1 -3.065 -0.225 0.872 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -4.330 -0.640 0.448 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -5.317 -1.033 1.326 0.00 0.00 +0.043 A ATOM 12 C LIG 1 -5.004 -1.000 2.686 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -3.739 -0.581 3.135 0.00 0.00 +0.020 A ATOM 14 CL LIG 1 -6.193 -1.476 3.838 0.00 0.00 -0.083 Cl ATOM 15 N LIG 1 -4.423 -0.573 -0.935 0.00 0.00 -0.283 N ATOM 16 H LIG 1 -5.240 -0.802 -1.482 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -2.756 -0.186 2.222 0.00 0.00 +0.009 A ATOM 18 N LIG 1 -1.675 1.519 -0.303 0.00 0.00 -0.281 NA ATOM 19 C LIG 1 -3.240 -0.113 -1.506 0.00 0.00 +0.243 C ATOM 20 O LIG 1 -3.066 0.079 -2.700 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -0.629 1.543 -1.358 0.00 0.00 +0.071 C ATOM 22 C LIG 1 0.451 2.621 -1.167 0.00 0.00 +0.041 C ATOM 23 C LIG 1 1.382 2.293 -0.008 0.00 0.00 +0.125 C ATOM 24 N LIG 1 2.004 1.008 -0.244 0.00 0.00 -0.327 N ATOM 25 C LIG 1 3.266 0.604 0.092 0.00 0.00 +0.069 A ATOM 26 C LIG 1 4.317 1.207 0.789 0.00 0.00 +0.028 A ATOM 27 C LIG 1 5.497 0.465 0.929 0.00 0.00 +0.006 A ENDROOT BRANCH 7 28 ATOM 28 C LIG 1 -1.159 -2.199 -0.839 0.00 0.00 -0.004 A ATOM 29 C LIG 1 -1.207 -3.163 0.182 0.00 0.00 +0.145 A ATOM 30 F LIG 1 -1.065 -2.772 1.460 0.00 0.00 -0.204 F ATOM 31 C LIG 1 -1.410 -4.515 -0.101 0.00 0.00 +0.076 A ATOM 32 CL LIG 1 -1.478 -5.677 1.168 0.00 0.00 -0.081 Cl ATOM 33 C LIG 1 -1.569 -4.933 -1.419 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -1.527 -3.994 -2.448 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -1.325 -2.640 -2.161 0.00 0.00 +0.007 A ENDBRANCH 7 28 BRANCH 1 36 ATOM 36 C LIG 1 6.915 -1.597 0.562 0.00 0.00 +0.155 C BRANCH 36 38 ATOM 37 O LIG 1 8.047 -0.202 -1.119 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 8.005 -1.182 -0.396 0.00 0.00 +0.309 C BRANCH 38 39 ATOM 39 O LIG 1 9.050 -2.038 -0.366 0.00 0.00 -0.480 OA ATOM 40 H LIG 1 9.678 -1.659 -1.017 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 1 36 BRANCH 18 41 ATOM 41 C LIG 1 -2.717 2.546 -0.463 0.00 0.00 +0.089 C BRANCH 41 42 ATOM 42 C LIG 1 -2.299 3.850 0.154 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -1.787 3.926 1.574 0.00 0.00 +0.005 C ATOM 44 C LIG 1 -3.140 4.481 1.241 0.00 0.00 +0.005 C ENDBRANCH 41 42 ENDBRANCH 18 41 TORSDOF 6