REMARK Name = BDB063048 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.982 -0.660 -1.760 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.184 -2.042 -1.848 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -0.167 -2.957 -1.507 0.00 0.00 +0.075 A ATOM 4 C LIG 1 1.077 -2.464 -1.068 0.00 0.00 +0.065 A ATOM 5 CL LIG 1 2.348 -3.586 -0.703 0.00 0.00 -0.082 Cl ATOM 6 C LIG 1 1.286 -1.074 -0.968 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.257 -0.183 -1.333 0.00 0.00 +0.027 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -2.988 -0.182 -2.883 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.099 0.245 -2.156 0.00 0.00 +0.244 C ATOM 10 N LIG 1 -2.077 1.522 -1.642 0.00 0.00 -0.307 N ATOM 11 H LIG 1 -1.448 1.751 -0.886 0.00 0.00 +0.149 HD BRANCH 10 12 ATOM 12 C LIG 1 -3.183 2.434 -1.843 0.00 0.00 +0.139 C BRANCH 12 13 ATOM 13 C LIG 1 -4.068 2.467 -0.624 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -3.905 3.457 0.356 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.714 3.465 1.494 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -5.687 2.482 1.666 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -5.852 1.488 0.703 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.045 1.479 -0.435 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 1 9 BRANCH 3 19 ATOM 19 C LIG 1 -0.439 -4.437 -1.628 0.00 0.00 +0.419 C ATOM 20 F LIG 1 -0.279 -5.096 -0.448 0.00 0.00 -0.166 F ATOM 21 F LIG 1 -1.712 -4.719 -2.027 0.00 0.00 -0.166 F ATOM 22 F LIG 1 0.370 -5.053 -2.531 0.00 0.00 -0.166 F ENDBRANCH 3 19 BRANCH 6 23 ATOM 23 C LIG 1 2.554 -0.426 -0.514 0.00 0.00 +0.250 C ATOM 24 N LIG 1 3.193 -1.024 0.553 0.00 0.00 -0.281 N ATOM 25 H LIG 1 2.804 -1.893 0.898 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 2.886 0.609 -1.080 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 4.373 -0.597 1.199 0.00 0.00 +0.034 A ATOM 28 C LIG 1 4.854 -1.400 2.243 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.015 -1.049 2.937 0.00 0.00 +0.002 A ATOM 30 C LIG 1 6.707 0.109 2.594 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.237 0.913 1.559 0.00 0.00 +0.002 A ATOM 32 C LIG 1 5.075 0.562 0.864 0.00 0.00 +0.023 A ENDBRANCH 24 27 ENDBRANCH 6 23 TORSDOF 6