REMARK Name = BDB040099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.007 -0.325 1.240 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.137 -0.146 2.045 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.351 -0.433 3.207 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.152 0.516 1.216 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.431 0.906 1.566 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.221 1.528 0.589 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.689 1.735 -0.707 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.382 1.333 -1.046 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.626 0.718 -0.053 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.228 0.192 -0.103 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.558 -1.573 1.048 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.300 -1.005 0.721 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.227 -0.918 1.629 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.427 -1.427 2.914 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.650 -1.989 3.280 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.697 -2.053 2.363 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.796 -1.622 -0.026 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -4.436 -2.016 -1.487 0.00 0.00 +0.177 C ATOM 19 O LIG 1 -4.888 -3.374 -1.277 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -5.576 -2.974 -0.066 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 -5.581 -0.310 0.104 0.00 0.00 +0.248 C ATOM 22 F LIG 1 -4.692 0.700 -0.162 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 -6.299 2.155 -1.703 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -7.081 0.958 -1.525 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -6.802 -0.135 -0.738 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -7.834 -0.955 -0.801 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 -8.762 -0.425 -1.659 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -8.300 0.725 -2.083 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.816 1.556 -2.422 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.700 2.334 -2.397 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.439 0.393 -3.018 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.677 2.159 -3.281 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.635 1.960 0.915 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.568 0.838 1.033 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.165 0.135 1.654 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.946 0.314 -0.279 0.00 0.00 +0.054 C ATOM 37 C LIG 1 7.997 -0.803 -0.072 0.00 0.00 +0.019 C ATOM 38 C LIG 1 8.784 -0.166 -1.238 0.00 0.00 +0.003 C ATOM 39 C LIG 1 8.088 1.166 -0.882 0.00 0.00 +0.019 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8