REMARK Name = BDB046096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.721 -1.002 -0.760 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -3.530 -0.947 -0.450 0.00 0.00 +0.245 C ATOM 3 C LIG 1 -2.876 0.375 -0.276 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.475 0.565 -0.253 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -0.981 1.867 -0.140 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.805 2.994 -0.036 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -3.184 2.791 -0.054 0.00 0.00 +0.003 A ATOM 8 N LIG 1 0.390 1.790 -0.167 0.00 0.00 -0.354 N ATOM 9 H LIG 1 1.008 2.587 -0.123 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 0.807 0.485 -0.271 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -0.335 -0.302 -0.328 0.00 0.00 -0.012 A ATOM 12 C LIG 1 -0.408 -1.788 -0.451 0.00 0.00 +0.056 C ATOM 13 C LIG 1 -1.573 -2.364 0.347 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -3.711 1.508 -0.178 0.00 0.00 +0.014 A ATOM 15 N LIG 1 -2.862 -2.131 -0.274 0.00 0.00 -0.311 N ATOM 16 H LIG 1 -3.481 -2.926 -0.379 0.00 0.00 +0.149 HD ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 2.228 0.132 -0.289 0.00 0.00 +0.017 A ATOM 18 C LIG 1 3.095 0.500 -1.333 0.00 0.00 +0.050 A ATOM 19 CL LIG 1 2.553 1.400 -2.708 0.00 0.00 -0.083 Cl ATOM 20 C LIG 1 4.447 0.140 -1.291 0.00 0.00 +0.020 A ATOM 21 C LIG 1 4.947 -0.587 -0.211 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.099 -0.954 0.831 0.00 0.00 +0.001 A ATOM 23 C LIG 1 2.749 -0.597 0.792 0.00 0.00 +0.011 A ENDBRANCH 10 17 TORSDOF 1