REMARK Name = BDB026973 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.250 1.083 1.425 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -0.182 0.340 0.439 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -1.405 -0.146 -0.219 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.759 0.234 0.084 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -3.601 -0.471 -0.773 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -4.998 -0.339 -0.750 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -5.581 0.546 0.177 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -4.744 1.262 1.044 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -2.804 -1.260 -1.566 0.00 0.00 -0.360 N ATOM 10 H LIG 1 -3.149 -1.888 -2.279 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 -3.349 1.119 1.009 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -1.485 -1.072 -1.247 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 -7.041 0.712 0.234 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -7.794 1.020 -0.900 0.00 0.00 +0.119 A ATOM 15 N LIG 1 -9.141 1.177 -0.920 0.00 0.00 -0.263 NA ATOM 16 C LIG 1 -9.781 1.028 0.257 0.00 0.00 +0.111 A ATOM 17 C LIG 1 -9.141 0.727 1.447 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -7.756 0.568 1.430 0.00 0.00 +0.011 A ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 1.202 -0.130 -0.104 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 1.591 -1.472 0.504 0.00 0.00 -0.023 A ATOM 21 C LIG 1 1.985 -2.531 -0.330 0.00 0.00 +0.005 A ATOM 22 C LIG 1 2.355 -3.764 0.211 0.00 0.00 +0.000 A ATOM 23 C LIG 1 2.341 -3.952 1.592 0.00 0.00 +0.000 A ATOM 24 C LIG 1 1.961 -2.908 2.433 0.00 0.00 +0.000 A ATOM 25 C LIG 1 1.592 -1.675 1.894 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 2.202 0.937 0.155 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.232 1.111 1.161 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.534 0.640 -0.370 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.461 1.847 -0.170 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.843 1.585 -0.721 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.807 0.934 0.061 0.00 0.00 +0.005 A ATOM 32 C LIG 1 8.078 0.673 -0.456 0.00 0.00 +0.020 A ATOM 33 C LIG 1 8.388 1.060 -1.758 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 9.954 0.738 -2.395 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 7.438 1.704 -2.548 0.00 0.00 +0.020 A ATOM 36 C LIG 1 6.167 1.964 -2.031 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8