REMARK Name = BDB049564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.344 -2.160 -0.091 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.462 -2.288 -0.921 0.00 0.00 +0.006 A ATOM 3 C LIG 1 -2.626 -1.545 -0.676 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.724 -0.660 0.407 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -1.594 -0.551 1.233 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.427 -1.289 0.998 0.00 0.00 +0.006 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.870 0.090 0.662 0.00 0.00 -0.220 N ATOM 8 C LIG 1 -5.151 -0.024 -0.042 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -5.850 1.290 0.361 0.00 0.00 +0.064 C ATOM 10 C LIG 1 -5.728 2.364 -0.712 0.00 0.00 +0.016 C ATOM 11 C LIG 1 -5.020 1.654 1.565 0.00 0.00 +0.144 C ATOM 12 N LIG 1 -3.907 0.991 1.685 0.00 0.00 -0.179 NA BRANCH 11 13 ATOM 13 C LIG 1 -5.472 2.746 2.492 0.00 0.00 +0.432 C ATOM 14 F LIG 1 -4.796 2.781 3.671 0.00 0.00 -0.165 F ATOM 15 F LIG 1 -5.345 3.979 1.933 0.00 0.00 -0.165 F ATOM 16 F LIG 1 -6.790 2.611 2.811 0.00 0.00 -0.165 F ENDBRANCH 11 13 BRANCH 8 17 ATOM 17 C LIG 1 -5.913 -1.257 0.463 0.00 0.00 +0.145 C BRANCH 17 18 ATOM 18 C LIG 1 -7.143 -1.485 -0.362 0.00 0.00 +0.307 C ATOM 19 O LIG 1 -7.556 -0.784 -1.270 0.00 0.00 -0.251 OA BRANCH 18 20 ATOM 20 O LIG 1 -7.809 -2.593 0.013 0.00 0.00 -0.481 OA ATOM 21 H LIG 1 -8.585 -2.640 -0.585 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 8 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 0.898 -2.985 -0.349 0.00 0.00 +0.070 C BRANCH 22 27 ATOM 23 C LIG 1 4.659 -0.779 -0.277 0.00 0.00 -0.015 A ATOM 24 C LIG 1 3.753 -0.605 -1.337 0.00 0.00 +0.012 A ATOM 25 C LIG 1 2.536 -1.310 -1.405 0.00 0.00 -0.046 A ATOM 26 C LIG 1 1.616 -1.044 -2.566 0.00 0.00 +0.044 C ATOM 27 C LIG 1 2.200 -2.205 -0.370 0.00 0.00 -0.040 A ATOM 28 C LIG 1 3.107 -2.387 0.688 0.00 0.00 +0.005 A ATOM 29 C LIG 1 4.315 -1.688 0.731 0.00 0.00 +0.009 A BRANCH 23 32 ATOM 30 C LIG 1 7.108 2.120 -0.280 0.00 0.00 +0.121 A ATOM 31 C LIG 1 5.918 1.386 -0.330 0.00 0.00 +0.057 A ATOM 32 C LIG 1 5.921 -0.021 -0.223 0.00 0.00 +0.021 A ATOM 33 C LIG 1 7.160 -0.659 -0.061 0.00 0.00 +0.131 A ATOM 34 F LIG 1 7.227 -1.996 0.044 0.00 0.00 -0.205 F ATOM 35 C LIG 1 8.351 0.060 -0.012 0.00 0.00 +0.042 A ATOM 36 C LIG 1 8.322 1.448 -0.124 0.00 0.00 +0.048 A BRANCH 30 38 ATOM 37 C LIG 1 6.009 4.218 -0.503 0.00 0.00 +0.277 C ATOM 38 O LIG 1 7.218 3.480 -0.372 0.00 0.00 -0.495 OA ENDBRANCH 30 38 ENDBRANCH 23 32 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 9