REMARK Name = BDB025146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.802 0.193 -0.538 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.693 -0.646 -0.330 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.837 -2.116 -0.470 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.679 -2.707 0.676 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.515 -2.899 -0.512 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.472 -2.146 -1.305 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.256 -0.827 -0.623 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.968 -0.272 -0.472 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.240 -0.785 -0.860 0.00 0.00 -0.228 NA ATOM 10 C LIG 1 -1.156 0.095 -0.495 0.00 0.00 +0.149 A ATOM 11 N LIG 1 -0.565 1.191 0.110 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.801 0.965 0.136 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.888 1.703 0.613 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.165 1.148 0.453 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.373 -0.096 -0.158 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.807 1.418 -0.496 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.203 2.416 0.590 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.718 3.300 -0.556 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -2.209 4.659 -0.052 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -2.860 4.611 1.331 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -3.374 3.222 1.683 0.00 0.00 +0.002 C ATOM 22 C LIG 1 -2.239 2.197 1.710 0.00 0.00 +0.025 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 8.085 0.294 -1.104 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.933 -0.511 -0.853 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.622 -0.105 -0.716 0.00 0.00 +0.303 C BRANCH 25 26 ATOM 26 O LIG 1 -3.099 -0.898 0.381 0.00 0.00 -0.484 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.839 -1.962 -0.059 0.00 0.00 +0.135 A ATOM 28 C LIG 1 -5.239 -1.941 -0.047 0.00 0.00 +0.100 A ATOM 29 C LIG 1 -5.939 -3.092 -0.442 0.00 0.00 +0.018 A ATOM 30 C LIG 1 -5.247 -4.244 -0.831 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.854 -4.257 -0.823 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -3.149 -3.121 -0.430 0.00 0.00 +0.046 A BRANCH 28 33 ATOM 33 C LIG 1 -5.976 -0.715 0.347 0.00 0.00 +0.340 C ATOM 34 O LIG 1 -5.565 0.430 0.338 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -7.236 -0.988 0.740 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -7.598 -0.112 0.990 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7