REMARK Name = BDB036391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.139 -0.646 -0.066 0.00 0.00 +0.077 A ATOM 2 C LIG 1 2.745 0.588 0.492 0.00 0.00 +0.061 A ATOM 3 C LIG 1 1.544 1.225 0.191 0.00 0.00 +0.010 A ATOM 4 C LIG 1 1.470 2.416 0.983 0.00 0.00 +0.026 A ATOM 5 C LIG 1 0.361 3.356 1.092 0.00 0.00 +0.090 A ATOM 6 C LIG 1 0.501 4.724 1.070 0.00 0.00 +0.099 A ATOM 7 C LIG 1 -0.679 5.416 1.225 0.00 0.00 +0.129 A ATOM 8 N LIG 1 -1.889 4.836 1.362 0.00 0.00 -0.222 NA ATOM 9 C LIG 1 -1.929 3.502 1.335 0.00 0.00 +0.216 A ATOM 10 N LIG 1 -3.185 2.944 1.467 0.00 0.00 -0.309 N ATOM 11 H LIG 1 -3.824 3.729 1.392 0.00 0.00 +0.149 HD ATOM 12 C LIG 1 -3.567 1.801 0.633 0.00 0.00 +0.087 C ATOM 13 C LIG 1 -2.927 0.449 1.043 0.00 0.00 +0.106 C ATOM 14 N LIG 1 -3.116 -0.656 0.061 0.00 0.00 -0.301 NA ATOM 15 C LIG 1 -3.240 -1.940 0.768 0.00 0.00 +0.084 C ATOM 16 C LIG 1 -3.269 -3.200 -0.114 0.00 0.00 +0.015 C ATOM 17 C LIG 1 -2.099 -3.368 -1.088 0.00 0.00 +0.001 C ATOM 18 C LIG 1 -0.734 -3.410 -0.400 0.00 0.00 +0.003 C ATOM 19 C LIG 1 0.382 -3.790 -1.383 0.00 0.00 +0.041 C ATOM 20 C LIG 1 1.771 -3.529 -0.791 0.00 0.00 +0.229 C ATOM 21 O LIG 1 2.488 -2.480 -1.472 0.00 0.00 -0.491 OA ATOM 22 C LIG 1 -4.211 -0.386 -0.869 0.00 0.00 +0.084 C ATOM 23 C LIG 1 -3.923 0.879 -1.691 0.00 0.00 +0.017 C ATOM 24 C LIG 1 -3.410 2.062 -0.863 0.00 0.00 +0.025 C ATOM 25 N LIG 1 -0.843 2.746 1.202 0.00 0.00 -0.214 NA ATOM 26 C LIG 1 2.620 2.462 1.747 0.00 0.00 +0.093 A ATOM 27 C LIG 1 0.693 0.630 -0.757 0.00 0.00 +0.014 A ATOM 28 C LIG 1 1.049 -0.594 -1.321 0.00 0.00 +0.047 A ATOM 29 N LIG 1 3.403 1.391 1.402 0.00 0.00 -0.359 N ATOM 30 H LIG 1 4.317 1.163 1.787 0.00 0.00 +0.165 HD ATOM 31 C LIG 1 2.218 -1.248 -0.933 0.00 0.00 +0.133 A ENDROOT BRANCH 1 33 ATOM 32 C LIG 1 4.612 -2.922 1.052 0.00 0.00 +0.086 C ATOM 33 P LIG 1 4.723 -1.276 0.347 0.00 0.00 +0.116 P ATOM 34 O LIG 1 5.519 -0.399 1.293 0.00 0.00 -0.317 OA ATOM 35 C LIG 1 5.674 -1.538 -1.156 0.00 0.00 +0.086 C ENDBRANCH 1 33 BRANCH 6 36 ATOM 36 C LIG 1 1.782 5.448 0.892 0.00 0.00 +0.421 C ATOM 37 F LIG 1 2.570 4.955 -0.101 0.00 0.00 -0.166 F ATOM 38 F LIG 1 1.597 6.764 0.569 0.00 0.00 -0.166 F ATOM 39 F LIG 1 2.546 5.470 2.019 0.00 0.00 -0.166 F ENDBRANCH 6 36 TORSDOF 2