REMARK Name = BDB038927 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.964 -0.271 0.082 0.00 0.00 +0.403 C ATOM 2 N LIG 1 -5.803 -0.947 0.412 0.00 0.00 -0.263 N ATOM 3 C LIG 1 -4.565 -0.177 0.430 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -3.309 -1.007 0.516 0.00 0.00 +0.001 A ATOM 5 C LIG 1 -3.350 -2.414 0.646 0.00 0.00 -0.039 A ATOM 6 C LIG 1 -2.167 -3.162 0.707 0.00 0.00 +0.006 A ATOM 7 C LIG 1 -0.912 -2.547 0.672 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -0.881 -1.152 0.562 0.00 0.00 +0.069 A ATOM 9 N LIG 1 0.148 -0.226 0.498 0.00 0.00 -0.326 N ATOM 10 C LIG 1 -0.415 1.036 0.397 0.00 0.00 +0.114 A ATOM 11 N LIG 1 -1.734 0.935 0.391 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 -4.682 -3.123 0.658 0.00 0.00 +0.054 C ATOM 13 C LIG 1 -2.040 -0.393 0.488 0.00 0.00 +0.094 A ATOM 14 C LIG 1 -5.804 -2.209 1.142 0.00 0.00 +0.116 C ATOM 15 O LIG 1 -6.992 0.881 -0.336 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 0.242 2.393 0.264 0.00 0.00 +0.055 C ATOM 17 C LIG 1 1.576 2.605 0.977 0.00 0.00 +0.011 C ATOM 18 C LIG 1 2.030 4.062 0.871 0.00 0.00 +0.001 C ATOM 19 C LIG 1 2.126 4.503 -0.588 0.00 0.00 +0.000 C ATOM 20 C LIG 1 0.815 4.274 -1.335 0.00 0.00 +0.001 C ATOM 21 C LIG 1 0.327 2.831 -1.208 0.00 0.00 +0.011 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 -9.300 -0.361 -0.069 0.00 0.00 +0.282 C ATOM 23 O LIG 1 -8.082 -1.026 0.270 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 1.554 -0.596 0.566 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 C LIG 1 2.243 -0.625 -0.805 0.00 0.00 +0.147 C BRANCH 25 26 ATOM 26 C LIG 1 3.757 -0.541 -0.684 0.00 0.00 -0.026 A ATOM 27 C LIG 1 4.494 -1.465 0.077 0.00 0.00 +0.050 A ATOM 28 C LIG 1 5.887 -1.371 0.193 0.00 0.00 +0.123 A ATOM 29 C LIG 1 6.560 -0.344 -0.462 0.00 0.00 +0.084 A ATOM 30 C LIG 1 5.837 0.569 -1.223 0.00 0.00 +0.127 A ATOM 31 F LIG 1 6.486 1.556 -1.854 0.00 0.00 -0.205 F ATOM 32 C LIG 1 4.454 0.481 -1.342 0.00 0.00 +0.043 A BRANCH 28 33 ATOM 33 O LIG 1 6.460 -2.338 0.972 0.00 0.00 -0.495 OA ATOM 34 C LIG 1 7.877 -2.314 1.091 0.00 0.00 +0.277 C ENDBRANCH 28 33 ENDBRANCH 25 26 BRANCH 25 35 ATOM 35 C LIG 1 1.817 -1.868 -1.560 0.00 0.00 +0.314 C ATOM 36 O LIG 1 1.901 -3.022 -1.171 0.00 0.00 -0.250 OA BRANCH 35 37 ATOM 37 O LIG 1 1.305 -1.590 -2.776 0.00 0.00 -0.480 OA ATOM 38 H LIG 1 1.052 -2.462 -3.146 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 25 35 ENDBRANCH 24 25 ENDBRANCH 9 24 TORSDOF 8