REMARK Name = BDB026175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.834 0.499 0.127 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.641 -0.877 -0.068 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.690 -1.700 -0.220 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.371 -1.454 -0.094 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.763 -0.658 0.062 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.594 0.736 0.232 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.686 1.299 0.265 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.082 -1.176 0.082 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.368 -1.885 1.354 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.869 -2.296 1.396 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.214 -2.920 2.752 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.303 -3.127 0.230 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.778 -4.493 0.274 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.939 -2.398 -1.025 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.357 -3.141 -2.299 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.438 -1.984 -1.106 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 6.750 1.248 -0.497 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.438 1.397 -0.145 0.00 0.00 -0.259 N ATOM 19 C LIG 1 4.396 0.417 -0.386 0.00 0.00 +0.147 C ATOM 20 C LIG 1 3.179 1.098 0.171 0.00 0.00 -0.022 C ATOM 21 C LIG 1 3.517 2.283 0.709 0.00 0.00 -0.002 C ATOM 22 C LIG 1 4.975 2.559 0.572 0.00 0.00 +0.139 C ATOM 23 O LIG 1 7.624 2.063 -0.231 0.00 0.00 -0.226 OA BRANCH 17 24 ATOM 24 O LIG 1 6.959 0.093 -1.184 0.00 0.00 -0.448 OA BRANCH 24 26 ATOM 25 C LIG 1 8.414 -1.646 -1.909 0.00 0.00 +0.052 C ATOM 26 C LIG 1 8.306 -0.152 -1.630 0.00 0.00 +0.172 C ATOM 27 C LIG 1 8.589 0.648 -2.897 0.00 0.00 +0.052 C ENDBRANCH 24 26 ENDBRANCH 17 24 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.791 1.473 0.353 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.609 0.867 0.307 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.952 2.829 0.458 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -1.083 3.690 0.455 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -3.389 3.223 0.521 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -4.257 2.949 1.660 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -5.546 3.343 1.612 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -6.084 4.036 0.415 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -7.258 4.375 0.354 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -5.185 4.260 -0.596 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -5.552 4.741 -1.412 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.870 3.870 -0.553 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.684 2.261 2.859 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -4.537 2.277 3.917 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.431 0.951 2.600 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.528 2.820 3.286 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 7