REMARK Name = BDB007063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.643 1.237 -0.698 0.00 0.00 +0.140 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 4.823 -1.855 3.166 0.00 0.00 +0.065 C ATOM 3 C LIG 1 4.232 -1.556 1.821 0.00 0.00 +0.039 A ATOM 4 N LIG 1 3.067 -0.865 1.794 0.00 0.00 -0.248 NA ATOM 5 C LIG 1 2.519 -0.582 0.593 0.00 0.00 +0.113 A ATOM 6 C LIG 1 3.102 -0.978 -0.623 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.477 -0.656 -1.838 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.277 0.059 -1.849 0.00 0.00 +0.010 A ATOM 9 C LIG 1 0.674 0.472 -0.649 0.00 0.00 +0.021 A ATOM 10 C LIG 1 4.304 -1.692 -0.567 0.00 0.00 +0.012 A ATOM 11 C LIG 1 1.321 0.131 0.548 0.00 0.00 +0.148 A ATOM 12 C LIG 1 4.877 -1.984 0.667 0.00 0.00 +0.023 A BRANCH 11 13 ATOM 13 O LIG 1 0.769 0.510 1.753 0.00 0.00 -0.504 OA ATOM 14 H LIG 1 1.405 0.169 2.421 0.00 0.00 +0.292 HD ENDBRANCH 11 13 ENDBRANCH 1 9 BRANCH 1 15 ATOM 15 C LIG 1 -1.831 0.358 -0.345 0.00 0.00 +0.053 A ATOM 16 C LIG 1 -2.407 0.285 0.925 0.00 0.00 +0.170 A ATOM 17 F LIG 1 -1.945 1.040 1.932 0.00 0.00 -0.202 F ATOM 18 C LIG 1 -3.481 -0.570 1.184 0.00 0.00 +0.203 A ATOM 19 F LIG 1 -4.000 -0.599 2.422 0.00 0.00 -0.199 F ATOM 20 C LIG 1 -4.023 -1.391 0.191 0.00 0.00 +0.197 A ATOM 21 C LIG 1 -3.454 -1.323 -1.077 0.00 0.00 +0.203 A ATOM 22 F LIG 1 -3.913 -2.071 -2.091 0.00 0.00 -0.199 F ATOM 23 C LIG 1 -2.378 -0.467 -1.334 0.00 0.00 +0.170 A ATOM 24 F LIG 1 -1.864 -0.440 -2.574 0.00 0.00 -0.202 F BRANCH 20 25 ATOM 25 O LIG 1 -5.071 -2.172 0.594 0.00 0.00 -0.477 OA BRANCH 25 26 ATOM 26 C LIG 1 -5.669 -3.099 -0.320 0.00 0.00 +0.342 C BRANCH 26 27 ATOM 27 C LIG 1 -4.949 -4.439 -0.390 0.00 0.00 +0.424 C ATOM 28 F LIG 1 -4.958 -5.066 0.809 0.00 0.00 -0.167 F ATOM 29 F LIG 1 -5.563 -5.259 -1.276 0.00 0.00 -0.167 F ATOM 30 F LIG 1 -3.662 -4.317 -0.777 0.00 0.00 -0.167 F ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 1 15 BRANCH 1 31 ATOM 31 N LIG 1 -0.606 2.446 0.131 0.00 0.00 -0.332 N ATOM 32 H LIG 1 -0.449 2.165 1.106 0.00 0.00 +0.147 HD BRANCH 31 33 ATOM 33 C LIG 1 0.208 3.534 -0.201 0.00 0.00 +0.046 A ATOM 34 C LIG 1 0.622 4.426 0.795 0.00 0.00 +0.133 A ATOM 35 N LIG 1 1.357 5.549 0.596 0.00 0.00 -0.261 NA ATOM 36 C LIG 1 1.680 5.829 -0.680 0.00 0.00 +0.111 A ATOM 37 C LIG 1 1.292 5.048 -1.754 0.00 0.00 +0.021 A ATOM 38 C LIG 1 0.536 3.900 -1.507 0.00 0.00 +0.026 A ENDBRANCH 31 33 ENDBRANCH 1 31 TORSDOF 8