REMARK Name = BDB017860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.866 -0.092 -0.051 0.00 0.00 -0.016 A ATOM 2 C LIG 1 -3.043 -1.218 0.101 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -1.691 -1.020 0.335 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -0.665 -2.030 0.593 0.00 0.00 +0.250 C ATOM 5 N LIG 1 0.504 -1.357 0.876 0.00 0.00 -0.257 N ATOM 6 C LIG 1 0.390 0.095 0.675 0.00 0.00 +0.192 C ATOM 7 O LIG 1 -0.869 -3.229 0.573 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.103 0.238 0.423 0.00 0.00 +0.019 A ATOM 9 C LIG 1 -1.903 1.365 0.309 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -3.274 1.193 0.070 0.00 0.00 +0.007 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.903 0.840 1.918 0.00 0.00 +0.007 A ATOM 12 C LIG 1 0.150 0.869 3.110 0.00 0.00 +0.010 A ATOM 13 C LIG 1 0.626 1.524 4.250 0.00 0.00 +0.020 A ATOM 14 C LIG 1 1.868 2.149 4.223 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 2.453 2.954 5.625 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 2.644 2.116 3.068 0.00 0.00 +0.020 A ATOM 17 C LIG 1 2.168 1.460 1.929 0.00 0.00 +0.010 A ENDBRANCH 6 11 BRANCH 1 19 ATOM 18 C LIG 1 -5.833 -1.554 -0.860 0.00 0.00 +0.046 C ATOM 19 C LIG 1 -5.370 -0.203 -0.298 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -6.143 0.108 0.988 0.00 0.00 +0.046 C BRANCH 19 21 ATOM 21 O LIG 1 -5.742 0.781 -1.272 0.00 0.00 -0.385 OA ATOM 22 H LIG 1 -5.140 0.672 -2.029 0.00 0.00 +0.211 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 6 23 ATOM 23 O LIG 1 1.146 0.372 -0.499 0.00 0.00 -0.343 OA BRANCH 23 24 ATOM 24 C LIG 1 0.935 1.615 -1.153 0.00 0.00 +0.201 C BRANCH 24 25 ATOM 25 C LIG 1 2.095 1.920 -2.033 0.00 0.00 +0.015 A ATOM 26 C LIG 1 2.612 1.152 -3.056 0.00 0.00 +0.110 A ATOM 27 N LIG 1 3.690 1.829 -3.543 0.00 0.00 -0.284 N ATOM 28 H LIG 1 4.321 1.553 -4.288 0.00 0.00 +0.188 HD ATOM 29 N LIG 1 3.901 3.003 -2.925 0.00 0.00 -0.182 NA ATOM 30 C LIG 1 2.934 3.056 -2.007 0.00 0.00 +0.140 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 6 23 BRANCH 5 31 ATOM 31 C LIG 1 1.761 -2.046 1.119 0.00 0.00 +0.146 C BRANCH 31 32 ATOM 32 C LIG 1 2.646 -2.154 -0.102 0.00 0.00 -0.030 A ATOM 33 C LIG 1 3.865 -1.462 -0.161 0.00 0.00 +0.006 A ATOM 34 C LIG 1 4.664 -1.529 -1.304 0.00 0.00 +0.020 A ATOM 35 C LIG 1 4.250 -2.292 -2.393 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 5.218 -2.343 -3.815 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 3.052 -3.000 -2.345 0.00 0.00 +0.020 A ATOM 38 C LIG 1 2.253 -2.932 -1.202 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8