REMARK Name = BDB040266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.074 0.722 0.739 0.00 0.00 -0.036 A ATOM 2 C LIG 1 1.707 0.384 0.586 0.00 0.00 +0.027 A ATOM 3 C LIG 1 0.768 0.452 1.629 0.00 0.00 +0.037 A ATOM 4 C LIG 1 1.226 0.870 2.883 0.00 0.00 +0.023 A ATOM 5 C LIG 1 2.567 1.195 3.083 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.474 1.116 2.028 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.599 0.110 1.431 0.00 0.00 -0.263 N ATOM 8 C LIG 1 -1.185 -0.339 0.243 0.00 0.00 +0.251 C ATOM 9 O LIG 1 -0.709 -0.552 -0.857 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.611 -0.550 0.521 0.00 0.00 +0.043 A ATOM 11 C LIG 1 -3.602 -0.984 -0.340 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -4.904 -1.102 0.165 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -5.156 -0.785 1.523 0.00 0.00 +0.017 A ATOM 14 C LIG 1 -4.135 -0.345 2.386 0.00 0.00 +0.061 A ATOM 15 C LIG 1 -2.854 -0.234 1.852 0.00 0.00 -0.006 A ATOM 16 C LIG 1 -1.582 0.203 2.503 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 -4.408 0.003 3.824 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -5.689 -0.225 4.218 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.620 -0.705 4.681 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -4.155 1.314 4.092 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 -6.034 -1.574 -0.732 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 -7.130 -0.594 -0.794 0.00 0.00 -0.298 NA ATOM 23 C LIG 1 -8.198 -1.070 -1.703 0.00 0.00 +0.086 C ATOM 24 C LIG 1 -7.577 -0.256 -2.846 0.00 0.00 +0.031 C ATOM 25 C LIG 1 -6.822 0.500 -1.745 0.00 0.00 +0.086 C ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 4.126 0.619 -0.518 0.00 0.00 +0.045 C ATOM 27 C LIG 1 5.238 1.731 -0.580 0.00 0.00 +0.090 C ATOM 28 C LIG 1 4.287 2.572 -1.455 0.00 0.00 +0.251 C ATOM 29 F LIG 1 4.880 3.263 -2.453 0.00 0.00 -0.206 F ATOM 30 F LIG 1 3.514 3.455 -0.782 0.00 0.00 -0.206 F ATOM 31 C LIG 1 3.597 1.255 -1.864 0.00 0.00 +0.090 C BRANCH 26 32 ATOM 32 C LIG 1 4.648 -0.835 -0.564 0.00 0.00 +0.244 C ATOM 33 F LIG 1 5.255 -1.079 0.639 0.00 0.00 -0.236 F BRANCH 32 36 ATOM 34 C LIG 1 7.735 -1.354 -0.364 0.00 0.00 +0.151 C ATOM 35 N LIG 1 6.932 -1.388 -1.557 0.00 0.00 -0.318 N ATOM 36 C LIG 1 5.582 -1.165 -1.679 0.00 0.00 +0.168 A ATOM 37 N LIG 1 5.253 -1.325 -2.947 0.00 0.00 -0.132 NA ATOM 38 N LIG 1 6.388 -1.622 -3.658 0.00 0.00 -0.138 NA ATOM 39 C LIG 1 7.388 -1.661 -2.810 0.00 0.00 +0.224 A ENDBRANCH 32 36 ENDBRANCH 26 32 ENDBRANCH 1 26 TORSDOF 7