REMARK Name = BDB051537 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.408 4.208 1.482 0.00 0.00 +0.164 A ATOM 2 C LIG 1 -2.266 3.064 0.688 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -0.990 2.605 0.359 0.00 0.00 +0.062 A ATOM 4 C LIG 1 0.166 3.262 0.848 0.00 0.00 +0.044 A ATOM 5 C LIG 1 0.019 4.386 1.671 0.00 0.00 +0.080 A ATOM 6 N LIG 1 1.062 5.048 2.181 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 2.277 4.584 1.875 0.00 0.00 +0.223 A ATOM 8 N LIG 1 2.547 3.530 1.099 0.00 0.00 -0.220 NA ATOM 9 C LIG 1 1.495 2.874 0.578 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -1.260 4.842 1.970 0.00 0.00 +0.078 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -3.873 5.821 2.461 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -3.694 4.611 1.737 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 9 13 ATOM 13 N LIG 1 1.725 1.761 -0.272 0.00 0.00 -0.297 N ATOM 14 H LIG 1 1.222 1.892 -1.149 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 2.937 1.073 -0.507 0.00 0.00 +0.068 A ATOM 16 C LIG 1 3.126 0.417 -1.731 0.00 0.00 +0.145 A ATOM 17 F LIG 1 2.177 0.518 -2.677 0.00 0.00 -0.204 F ATOM 18 C LIG 1 4.271 -0.330 -2.012 0.00 0.00 +0.050 A ATOM 19 C LIG 1 5.278 -0.468 -1.049 0.00 0.00 +0.010 A ATOM 20 C LIG 1 5.081 0.164 0.192 0.00 0.00 +0.012 A ATOM 21 C LIG 1 3.925 0.912 0.464 0.00 0.00 +0.027 A BRANCH 19 22 ATOM 22 C LIG 1 6.522 -1.236 -1.267 0.00 0.00 +0.110 A ATOM 23 S LIG 1 6.758 -2.217 -2.664 0.00 0.00 -0.067 S ATOM 24 C LIG 1 8.322 -2.663 -2.110 0.00 0.00 +0.040 A ATOM 25 C LIG 1 8.562 -2.041 -0.885 0.00 0.00 +0.079 A ATOM 26 C LIG 1 9.796 -2.262 -0.240 0.00 0.00 +0.029 A ATOM 27 C LIG 1 10.752 -3.092 -0.835 0.00 0.00 +0.002 A ATOM 28 C LIG 1 10.491 -3.704 -2.058 0.00 0.00 +0.001 A ATOM 29 C LIG 1 9.272 -3.503 -2.715 0.00 0.00 +0.017 A ATOM 30 N LIG 1 7.531 -1.245 -0.416 0.00 0.00 -0.239 NA ENDBRANCH 19 22 ENDBRANCH 13 15 ENDBRANCH 9 13 BRANCH 2 31 ATOM 31 O LIG 1 -3.402 2.487 0.185 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 -3.462 1.056 0.273 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -3.522 0.484 -1.142 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -3.504 -1.048 -1.174 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -4.558 -1.685 -0.381 0.00 0.00 -0.300 NA ATOM 36 C LIG 1 -5.915 -1.445 -0.891 0.00 0.00 +0.100 C ATOM 37 C LIG 1 -7.018 -2.069 0.009 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -6.594 -3.244 0.795 0.00 0.00 -0.303 NA ATOM 39 C LIG 1 -7.727 -4.075 1.176 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -5.567 -4.000 0.073 0.00 0.00 +0.099 C ATOM 41 C LIG 1 -4.315 -3.140 -0.248 0.00 0.00 +0.100 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9