REMARK Name = BDB016371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.790 -1.001 0.446 0.00 0.00 +0.005 A ATOM 2 C LIG 1 -0.601 -0.746 0.203 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -0.996 0.603 0.091 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.210 1.192 -0.180 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -2.214 0.935 -0.631 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -3.398 0.602 0.249 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -3.802 -0.822 0.052 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -2.890 -1.824 0.057 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -3.357 -2.721 -0.009 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -4.994 -1.122 -0.070 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -2.194 2.436 -0.936 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -1.485 -1.852 0.188 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -0.965 -3.158 0.311 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.391 -3.394 0.505 0.00 0.00 +0.003 A ATOM 15 C LIG 1 1.261 -2.320 0.586 0.00 0.00 +0.010 A ENDROOT BRANCH 1 18 ATOM 16 C LIG 1 2.482 -0.156 -1.889 0.00 0.00 +0.046 C ATOM 17 C LIG 1 2.594 0.500 -0.535 0.00 0.00 -0.024 A ATOM 18 C LIG 1 1.786 0.089 0.554 0.00 0.00 -0.012 A ATOM 19 C LIG 1 1.931 0.733 1.799 0.00 0.00 +0.009 A ATOM 20 C LIG 1 2.861 1.753 1.983 0.00 0.00 +0.002 A ATOM 21 C LIG 1 3.669 2.144 0.922 0.00 0.00 +0.020 A ATOM 22 C LIG 1 3.542 1.522 -0.323 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 4.603 2.056 -1.582 0.00 0.00 -0.083 Cl ENDBRANCH 1 18 TORSDOF 1