REMARK Name = BDB053051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.322 1.538 -1.171 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 -2.106 1.580 -1.205 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -1.200 1.048 -0.293 0.00 0.00 -0.257 N ATOM 4 C LIG 1 0.176 1.488 -0.582 0.00 0.00 +0.192 C ATOM 5 C LIG 1 -0.009 2.285 -1.860 0.00 0.00 +0.019 A ATOM 6 C LIG 1 0.930 2.929 -2.656 0.00 0.00 +0.009 A ATOM 7 C LIG 1 0.487 3.597 -3.803 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -0.877 3.616 -4.144 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -1.816 2.964 -3.345 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.349 2.306 -2.221 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 0.810 2.363 0.510 0.00 0.00 +0.007 A ATOM 12 C LIG 1 2.114 2.119 0.981 0.00 0.00 +0.010 A ATOM 13 C LIG 1 2.688 2.927 1.968 0.00 0.00 +0.020 A ATOM 14 C LIG 1 1.970 3.997 2.493 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 2.677 4.988 3.708 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 0.685 4.271 2.036 0.00 0.00 +0.020 A ATOM 17 C LIG 1 0.111 3.464 1.049 0.00 0.00 +0.010 A ENDBRANCH 4 11 BRANCH 3 18 ATOM 18 C LIG 1 -1.663 0.621 1.025 0.00 0.00 +0.146 C BRANCH 18 19 ATOM 19 C LIG 1 -2.025 -0.848 1.131 0.00 0.00 -0.030 A ATOM 20 C LIG 1 -1.481 -1.626 2.169 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -1.806 -2.980 2.297 0.00 0.00 +0.033 A ATOM 22 C LIG 1 -2.695 -3.564 1.388 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -3.262 -2.803 0.362 0.00 0.00 +0.033 A ATOM 24 C LIG 1 -2.930 -1.450 0.242 0.00 0.00 +0.007 A BRANCH 22 25 ATOM 25 N LIG 1 -3.041 -4.985 1.520 0.00 0.00 +0.056 N ATOM 26 O LIG 1 -3.852 -5.460 0.713 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -2.500 -5.626 2.433 0.00 0.00 -0.126 OA ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 28 ATOM 28 O LIG 1 1.031 0.419 -1.007 0.00 0.00 -0.348 OA BRANCH 28 29 ATOM 29 C LIG 1 0.900 -0.834 -0.361 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 C LIG 1 2.067 -1.715 -0.793 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 1.990 -3.097 -0.154 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 3.143 -3.986 -0.600 0.00 0.00 +0.156 C BRANCH 32 33 ATOM 33 O LIG 1 3.018 -5.269 -0.004 0.00 0.00 -0.395 OA ATOM 34 H LIG 1 3.083 -5.158 0.959 0.00 0.00 +0.209 HD ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10