REMARK Name = BDB037482 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.100 2.532 -0.073 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.997 1.574 -0.574 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.663 0.269 -0.877 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.770 -0.266 -1.588 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.717 0.678 -1.735 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.658 -0.323 -0.549 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.718 0.791 -0.518 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.354 1.668 -0.877 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.242 2.137 0.092 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.082 2.874 0.626 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.425 -1.105 0.741 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.247 -0.494 1.996 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.029 -1.266 3.140 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.009 -2.650 3.040 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.219 -3.385 4.140 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.167 -3.281 1.818 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.384 -2.513 0.673 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.380 2.481 -0.331 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.317 2.911 0.997 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.353 3.679 1.532 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.462 4.000 0.749 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.548 3.537 -0.563 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.516 2.767 -1.101 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.978 0.417 0.136 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.393 1.139 0.718 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.788 -0.570 -0.373 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.483 -1.248 -1.347 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 5.101 -0.768 0.300 0.00 0.00 +0.037 A ATOM 29 C LIG 1 6.146 -1.346 -0.434 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.402 -1.564 0.155 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.597 -1.188 1.493 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.554 -0.628 2.233 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.306 -0.422 1.641 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.530 -2.159 -0.652 0.00 0.00 +0.417 C ATOM 35 F LIG 1 9.480 -2.761 0.117 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.113 -3.108 -1.535 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.186 -1.221 -1.389 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -1.874 -1.606 -2.200 0.00 0.00 +0.268 C ATOM 39 N LIG 1 -3.119 -2.257 -2.193 0.00 0.00 -0.280 N ATOM 40 O LIG 1 -0.878 -2.147 -2.684 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.315 -1.731 -1.582 0.00 0.00 +0.078 C ATOM 42 C LIG 1 -5.231 -2.590 -0.743 0.00 0.00 +0.024 C ATOM 43 C LIG 1 -4.406 -1.530 -0.088 0.00 0.00 +0.024 C ENDBRANCH 39 41 BRANCH 39 44 ATOM 44 C LIG 1 -3.257 -3.430 -3.056 0.00 0.00 +0.227 C BRANCH 44 45 ATOM 45 C LIG 1 -3.660 -3.065 -4.426 0.00 0.00 +0.082 C ATOM 46 N LIG 1 -4.000 -2.791 -5.503 0.00 0.00 -0.195 NA ENDBRANCH 44 45 ENDBRANCH 39 44 ENDBRANCH 4 38 BRANCH 1 48 ATOM 47 C LIG 1 -0.285 4.491 1.493 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -0.378 3.965 0.064 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 10