REMARK Name = BDB060540 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.909 -0.532 -1.141 0.00 0.00 +0.161 A ATOM 2 N LIG 1 -2.191 -0.174 0.151 0.00 0.00 -0.342 N ATOM 3 H LIG 1 -3.074 -0.292 0.617 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -1.040 0.277 0.739 0.00 0.00 +0.112 A ATOM 5 C LIG 1 -0.071 0.162 -0.232 0.00 0.00 +0.089 A ATOM 6 N LIG 1 -0.625 -0.352 -1.382 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -4.363 -1.239 -2.079 0.00 0.00 +0.082 A ATOM 8 C LIG 1 -2.941 -1.112 -2.190 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -2.500 -1.582 -3.367 0.00 0.00 -0.169 NA ATOM 10 N LIG 1 -3.595 -2.057 -3.966 0.00 0.00 -0.282 N ATOM 11 H LIG 1 -3.496 -2.483 -4.882 0.00 0.00 +0.188 HD ATOM 12 C LIG 1 -4.729 -1.889 -3.235 0.00 0.00 +0.129 A BRANCH 7 15 ATOM 13 O LIG 1 -7.279 -1.486 -1.947 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 -6.596 -0.952 -1.082 0.00 0.00 +0.248 C ATOM 15 N LIG 1 -5.219 -0.801 -1.074 0.00 0.00 -0.278 N ATOM 16 H LIG 1 -4.825 -0.196 -0.373 0.00 0.00 +0.155 HD BRANCH 14 17 ATOM 17 C LIG 1 -7.290 -0.356 0.092 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -6.766 -0.467 1.387 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -7.449 0.106 2.464 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -8.653 0.777 2.248 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -9.487 1.480 3.577 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -9.188 0.874 0.964 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -8.510 0.302 -0.115 0.00 0.00 +0.014 A ENDBRANCH 14 17 ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 5 24 ATOM 24 C LIG 1 1.339 0.502 -0.111 0.00 0.00 +0.002 A ATOM 25 C LIG 1 1.877 1.065 1.054 0.00 0.00 +0.010 A ATOM 26 C LIG 1 3.239 1.380 1.136 0.00 0.00 +0.005 A ATOM 27 C LIG 1 4.094 1.137 0.053 0.00 0.00 -0.033 A ATOM 28 C LIG 1 3.558 0.577 -1.113 0.00 0.00 +0.005 A ATOM 29 C LIG 1 2.198 0.263 -1.192 0.00 0.00 +0.010 A BRANCH 27 30 ATOM 30 C LIG 1 5.566 1.484 0.133 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 6.450 0.321 -0.037 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 7.869 0.722 -0.137 0.00 0.00 +0.113 C ATOM 33 C LIG 1 8.646 0.558 1.178 0.00 0.00 +0.175 C ATOM 34 O LIG 1 8.652 -0.790 1.668 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 7.510 -1.547 1.242 0.00 0.00 +0.175 C ATOM 36 C LIG 1 6.263 -0.672 1.047 0.00 0.00 +0.113 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 5 24 TORSDOF 6