REMARK Name = BDB034768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.866 -0.943 -1.697 0.00 0.00 -0.292 N ATOM 2 C LIG 1 0.455 -0.757 -1.262 0.00 0.00 +0.072 A ATOM 3 C LIG 1 1.255 -1.697 -1.910 0.00 0.00 +0.070 A ATOM 4 C LIG 1 2.612 -1.769 -1.689 0.00 0.00 +0.030 A ATOM 5 C LIG 1 3.163 -0.853 -0.783 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.367 0.105 -0.111 0.00 0.00 +0.033 A ATOM 7 N LIG 1 0.433 -2.470 -2.737 0.00 0.00 -0.295 N ATOM 8 C LIG 1 0.869 -3.568 -3.549 0.00 0.00 +0.154 C ATOM 9 C LIG 1 0.984 0.149 -0.365 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -0.900 -2.028 -2.606 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -1.886 -2.489 -3.157 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 2.916 1.060 0.772 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.257 1.355 1.491 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.217 1.602 0.879 0.00 0.00 +0.053 A ATOM 15 C LIG 1 4.742 2.003 2.123 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.043 2.486 2.159 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 6.812 3.013 3.609 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 6.847 2.598 1.078 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 6.330 2.210 -0.101 0.00 0.00 +0.114 A ATOM 20 C LIG 1 5.046 1.710 -0.245 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 3.959 1.917 3.313 0.00 0.00 +0.104 C ATOM 22 N LIG 1 3.267 1.840 4.242 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 -2.033 -0.240 -1.219 0.00 0.00 +0.130 C BRANCH 23 24 ATOM 24 C LIG 1 -2.607 -0.893 0.043 0.00 0.00 +0.056 C BRANCH 24 25 ATOM 25 C LIG 1 -3.867 -0.235 0.663 0.00 0.00 +0.067 C ATOM 26 C LIG 1 -4.870 0.210 -0.407 0.00 0.00 +0.041 C BRANCH 25 28 ATOM 27 C LIG 1 -2.732 2.061 1.161 0.00 0.00 +0.010 C ATOM 28 C LIG 1 -3.538 0.883 1.706 0.00 0.00 +0.014 C ATOM 29 C LIG 1 -4.796 1.426 2.406 0.00 0.00 +0.010 C ENDBRANCH 25 28 BRANCH 25 30 ATOM 30 O LIG 1 -4.535 -1.285 1.395 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 -3.914 -1.639 2.055 0.00 0.00 +0.210 HD ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8