REMARK Name = BDB017891 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.501 -1.898 0.175 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -3.389 -0.501 0.117 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -2.183 0.080 0.481 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -1.864 1.503 0.582 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -0.582 1.596 1.079 0.00 0.00 -0.257 N ATOM 6 C LIG 1 0.084 0.292 1.192 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -2.640 2.397 0.303 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.072 -0.650 0.888 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -1.167 -2.031 0.976 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -2.373 -2.644 0.611 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.690 0.119 2.593 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.134 -0.084 3.720 0.00 0.00 +0.010 A ATOM 13 C LIG 1 0.413 -0.215 5.000 0.00 0.00 +0.020 A ATOM 14 C LIG 1 1.790 -0.132 5.178 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 2.462 -0.293 6.752 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 2.625 0.091 4.088 0.00 0.00 +0.020 A ATOM 17 C LIG 1 2.078 0.222 2.808 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 19 ATOM 18 C LIG 1 -6.042 -1.770 -0.265 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -4.777 -2.638 -0.226 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.588 -3.325 -1.582 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 -5.027 -3.663 0.745 0.00 0.00 -0.385 OA ATOM 22 H LIG 1 -4.984 -3.240 1.621 0.00 0.00 +0.211 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 6 23 ATOM 23 O LIG 1 1.070 0.282 0.156 0.00 0.00 -0.347 OA BRANCH 23 24 ATOM 24 C LIG 1 1.553 -0.973 -0.299 0.00 0.00 +0.167 C BRANCH 24 25 ATOM 25 C LIG 1 2.796 -0.710 -1.137 0.00 0.00 +0.020 C ATOM 26 C LIG 1 2.676 0.077 -2.486 0.00 0.00 +0.020 C ATOM 27 C LIG 1 3.732 -0.908 -3.055 0.00 0.00 +0.006 C ATOM 28 C LIG 1 3.313 -1.912 -1.965 0.00 0.00 +0.006 C BRANCH 26 29 ATOM 29 C LIG 1 1.327 0.100 -3.192 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 O LIG 1 1.449 0.777 -4.439 0.00 0.00 -0.395 OA ATOM 31 H LIG 1 2.113 0.308 -4.970 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 BRANCH 5 32 ATOM 32 C LIG 1 0.078 2.870 1.306 0.00 0.00 +0.146 C BRANCH 32 33 ATOM 33 C LIG 1 1.032 3.279 0.209 0.00 0.00 -0.030 A ATOM 34 C LIG 1 0.567 3.501 -1.097 0.00 0.00 +0.006 A ATOM 35 C LIG 1 1.450 3.879 -2.111 0.00 0.00 +0.020 A ATOM 36 C LIG 1 2.801 4.048 -1.823 0.00 0.00 +0.041 A ATOM 37 CL LIG 1 3.894 4.504 -3.071 0.00 0.00 -0.084 Cl ATOM 38 C LIG 1 3.279 3.840 -0.530 0.00 0.00 +0.020 A ATOM 39 C LIG 1 2.397 3.457 0.483 0.00 0.00 +0.006 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 10