REMARK Name = BDB026110 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.846 1.090 0.505 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.125 -0.087 0.837 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.170 -0.009 1.353 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.764 1.243 1.545 0.00 0.00 +0.038 A ATOM 5 C LIG 1 1.058 2.401 1.211 0.00 0.00 +0.134 A ATOM 6 F LIG 1 1.606 3.611 1.397 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.235 2.333 0.698 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.786 3.677 -2.170 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.586 2.837 -0.901 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.830 2.335 -0.264 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.003 2.214 -1.113 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.603 1.181 0.646 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.001 -0.197 0.082 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.139 1.122 1.168 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.181 0.949 0.042 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.523 1.734 -1.172 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.104 1.339 2.076 0.00 0.00 +0.082 A ATOM 18 N LIG 1 4.194 1.504 1.246 0.00 0.00 -0.234 NA ATOM 19 C LIG 1 5.300 1.587 1.964 0.00 0.00 +0.164 A ATOM 20 S LIG 1 5.071 1.443 3.669 0.00 0.00 -0.071 S ATOM 21 C LIG 1 3.385 1.268 3.424 0.00 0.00 +0.075 A BRANCH 19 22 ATOM 22 C LIG 1 6.657 1.796 1.430 0.00 0.00 +0.272 C ATOM 23 N LIG 1 6.879 1.699 0.043 0.00 0.00 -0.291 N ATOM 24 C LIG 1 8.237 1.844 -0.481 0.00 0.00 +0.136 C ATOM 25 C LIG 1 8.599 0.637 -1.354 0.00 0.00 +0.179 C ATOM 26 O LIG 1 7.667 0.363 -2.415 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 6.466 1.138 -2.351 0.00 0.00 +0.179 C ATOM 28 C LIG 1 5.889 1.227 -0.932 0.00 0.00 +0.136 C ATOM 29 O LIG 1 7.614 2.046 2.171 0.00 0.00 -0.268 OA ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.808 -1.294 0.593 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.728 -1.132 0.183 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.425 -2.572 0.910 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.589 -2.933 1.486 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.457 -3.570 0.514 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.349 -4.187 1.480 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.277 -5.059 1.048 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.412 -5.392 -0.397 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -4.292 -6.173 -0.744 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.513 -4.759 -1.253 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -2.579 -5.032 -2.682 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -1.556 -3.869 -0.791 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -2.223 -3.799 2.921 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.212 -4.342 3.681 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.053 -4.200 3.471 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.318 -2.455 3.089 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6