REMARK Name = BDB006477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.819 4.591 2.257 0.00 0.00 +0.046 C ATOM 2 C LIG 1 2.117 3.134 2.187 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.209 2.098 1.804 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.895 0.885 1.876 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.275 -0.337 1.562 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.067 -0.321 1.165 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.770 0.880 1.072 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.185 1.173 2.292 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.145 2.091 1.404 0.00 0.00 +0.023 A ATOM 10 C LIG 1 3.332 2.533 2.481 0.00 0.00 +0.020 A ATOM 11 C LIG 1 4.614 3.157 2.922 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.196 0.920 0.651 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -2.587 -0.029 -0.270 0.00 0.00 -0.307 N ATOM 14 H LIG 1 -1.893 -0.633 -0.689 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -2.954 1.776 1.093 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -3.952 -0.077 -0.755 0.00 0.00 +0.092 C ATOM 17 C LIG 1 -4.959 -0.630 0.267 0.00 0.00 +0.133 C ATOM 18 N LIG 1 -5.961 -1.311 -0.536 0.00 0.00 -0.266 N ATOM 19 C LIG 1 -7.138 -1.768 -0.005 0.00 0.00 +0.403 C ATOM 20 O LIG 1 -7.415 -1.705 1.185 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 -5.603 -1.332 -1.939 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -4.115 -1.027 -1.944 0.00 0.00 +0.043 C BRANCH 19 23 ATOM 23 O LIG 1 -7.939 -2.306 -0.961 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 -9.199 -2.805 -0.503 0.00 0.00 +0.269 C BRANCH 24 25 ATOM 25 C LIG 1 -10.272 -1.772 -0.728 0.00 0.00 -0.010 A ATOM 26 C LIG 1 -10.767 -1.020 0.347 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -11.761 -0.062 0.141 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -12.263 0.158 -1.141 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -11.766 -0.572 -2.220 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -10.773 -1.532 -2.015 0.00 0.00 +0.007 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 31 ATOM 31 C LIG 1 4.221 0.169 2.545 0.00 0.00 +0.157 C BRANCH 31 32 ATOM 32 C LIG 1 5.268 0.086 1.458 0.00 0.00 -0.028 A ATOM 33 C LIG 1 6.606 -0.131 1.812 0.00 0.00 +0.006 A ATOM 34 C LIG 1 7.596 -0.252 0.833 0.00 0.00 +0.009 A ATOM 35 C LIG 1 7.276 -0.181 -0.531 0.00 0.00 -0.017 A ATOM 36 C LIG 1 5.934 0.031 -0.883 0.00 0.00 +0.009 A ATOM 37 C LIG 1 4.943 0.154 0.096 0.00 0.00 +0.006 A BRANCH 35 38 ATOM 38 C LIG 1 8.315 -0.333 -1.565 0.00 0.00 -0.004 A ATOM 39 C LIG 1 9.124 -1.483 -1.688 0.00 0.00 +0.067 A ATOM 40 C LIG 1 10.141 -1.552 -2.654 0.00 0.00 +0.015 A ATOM 41 C LIG 1 10.348 -0.488 -3.530 0.00 0.00 +0.001 A ATOM 42 C LIG 1 9.548 0.647 -3.439 0.00 0.00 +0.001 A ATOM 43 C LIG 1 8.546 0.725 -2.466 0.00 0.00 +0.009 A BRANCH 39 44 ATOM 44 C LIG 1 8.970 -2.674 -0.820 0.00 0.00 +0.337 C ATOM 45 O LIG 1 9.903 -3.176 -0.217 0.00 0.00 -0.245 OA BRANCH 44 46 ATOM 46 O LIG 1 7.722 -3.185 -0.833 0.00 0.00 -0.477 OA ATOM 47 H LIG 1 7.089 -2.686 -1.385 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 39 44 ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 10