REMARK Name = BDB005797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.815 -1.637 1.205 0.00 0.00 +0.203 A ATOM 2 N LIG 1 -0.698 -0.626 0.260 0.00 0.00 -0.309 N ATOM 3 C LIG 1 -1.696 0.305 0.505 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -2.274 -0.143 1.693 0.00 0.00 +0.095 A ATOM 5 C LIG 1 -3.291 0.580 2.311 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -3.666 1.740 1.666 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -3.133 2.190 0.501 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -2.150 1.477 -0.112 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -1.717 -1.319 2.107 0.00 0.00 -0.214 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.726 2.588 2.234 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -5.090 3.702 1.586 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -4.715 4.045 0.718 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.059 4.274 2.311 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.644 5.310 2.041 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.286 3.495 3.421 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.381 2.387 3.329 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -1.690 2.011 -1.381 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -0.932 3.187 -1.447 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -0.506 3.667 -2.681 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 0.443 5.093 -2.781 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.858 2.964 -3.822 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -1.602 1.832 -3.806 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -2.010 1.394 -2.591 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 0.007 -3.489 2.469 0.00 0.00 +0.138 C ATOM 25 N LIG 1 -0.012 -2.745 1.198 0.00 0.00 -0.274 N BRANCH 25 26 ATOM 26 C LIG 1 -0.044 -3.672 0.112 0.00 0.00 +0.036 A ATOM 27 C LIG 1 1.126 -4.367 -0.235 0.00 0.00 +0.023 A ATOM 28 C LIG 1 1.137 -5.265 -1.304 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -0.025 -5.484 -2.040 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -1.197 -4.807 -1.709 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -1.206 -3.906 -0.641 0.00 0.00 +0.023 A ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 2 32 ATOM 32 C LIG 1 0.374 -0.534 -0.720 0.00 0.00 +0.128 C BRANCH 32 33 ATOM 33 C LIG 1 1.766 -0.255 -0.119 0.00 0.00 +0.009 C ATOM 34 C LIG 1 1.841 1.135 0.532 0.00 0.00 +0.005 C ATOM 35 C LIG 1 3.241 1.437 1.064 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.306 1.297 -0.030 0.00 0.00 -0.014 C ATOM 37 C LIG 1 5.700 1.557 0.537 0.00 0.00 +0.007 C ATOM 38 C LIG 1 4.236 -0.089 -0.681 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.837 -0.391 -1.213 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 6