REMARK Name = BDB026366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.623 1.439 1.024 0.00 0.00 +0.233 C ATOM 2 N LIG 1 -0.439 0.861 0.623 0.00 0.00 -0.299 N ATOM 3 C LIG 1 -0.099 -0.542 0.378 0.00 0.00 +0.119 C ATOM 4 C LIG 1 1.320 -0.121 0.624 0.00 0.00 +0.033 C ATOM 5 C LIG 1 2.324 -0.285 -0.473 0.00 0.00 +0.116 C ATOM 6 N LIG 1 2.792 -1.454 0.262 0.00 0.00 -0.328 N ATOM 7 C LIG 1 2.195 -0.961 1.496 0.00 0.00 +0.116 C ATOM 8 C LIG 1 0.906 1.244 1.059 0.00 0.00 +0.119 C ATOM 9 O LIG 1 -1.632 2.516 1.619 0.00 0.00 -0.274 OA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.134 -1.924 0.189 0.00 0.00 +0.053 A ATOM 11 C LIG 1 5.287 -1.157 0.520 0.00 0.00 +0.029 A ATOM 12 C LIG 1 6.523 -1.781 0.383 0.00 0.00 +0.110 A ATOM 13 S LIG 1 7.832 -0.774 0.798 0.00 0.00 -0.073 S ATOM 14 C LIG 1 6.799 0.533 1.176 0.00 0.00 +0.001 A ATOM 15 N LIG 1 6.749 -3.043 -0.028 0.00 0.00 -0.247 NA ATOM 16 C LIG 1 5.634 -3.732 -0.330 0.00 0.00 +0.126 A ATOM 17 C LIG 1 5.473 0.191 0.991 0.00 0.00 +0.023 A ATOM 18 C LIG 1 4.337 -3.249 -0.247 0.00 0.00 +0.094 A BRANCH 18 19 ATOM 19 C LIG 1 3.192 -4.143 -0.619 0.00 0.00 +0.421 C ATOM 20 F LIG 1 2.319 -4.357 0.406 0.00 0.00 -0.166 F ATOM 21 F LIG 1 3.593 -5.389 -1.010 0.00 0.00 -0.166 F ATOM 22 F LIG 1 2.450 -3.667 -1.659 0.00 0.00 -0.166 F ENDBRANCH 18 19 BRANCH 14 23 ATOM 23 C LIG 1 7.370 1.841 1.649 0.00 0.00 +0.155 C BRANCH 23 24 ATOM 24 C LIG 1 7.368 2.912 0.573 0.00 0.00 +0.394 C ATOM 25 F LIG 1 7.882 4.066 1.062 0.00 0.00 -0.170 F ATOM 26 F LIG 1 8.111 2.562 -0.498 0.00 0.00 -0.170 F ATOM 27 F LIG 1 6.115 3.183 0.144 0.00 0.00 -0.170 F ENDBRANCH 23 24 ENDBRANCH 14 23 ENDBRANCH 6 10 BRANCH 1 32 ATOM 28 C LIG 1 -5.466 0.002 -0.481 0.00 0.00 +0.136 C ATOM 29 C LIG 1 -5.002 1.410 -0.014 0.00 0.00 +0.083 C ATOM 30 N LIG 1 -4.129 1.294 1.173 0.00 0.00 -0.300 NA ATOM 31 H LIG 1 -4.564 0.745 1.911 0.00 0.00 +0.123 HD ATOM 32 C LIG 1 -2.890 0.628 0.679 0.00 0.00 +0.144 C ATOM 33 C LIG 1 -3.143 0.542 -0.838 0.00 0.00 +0.019 C ATOM 34 C LIG 1 -3.985 1.791 -1.081 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -4.174 -0.574 -1.098 0.00 0.00 +0.038 C BRANCH 28 36 ATOM 36 O LIG 1 -6.465 0.059 -1.496 0.00 0.00 -0.371 OA BRANCH 36 37 ATOM 37 C LIG 1 -7.766 0.328 -0.983 0.00 0.00 +0.187 C BRANCH 37 39 ATOM 38 C LIG 1 -9.799 -0.486 -2.217 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -8.712 0.294 -2.140 0.00 0.00 -0.007 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 1 32 TORSDOF 8