REMARK Name = BDB010600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.570 0.202 -0.199 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -1.617 -0.675 -0.025 0.00 0.00 +0.115 A ATOM 3 C LIG 1 -2.550 0.060 0.694 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -3.727 -0.420 1.125 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -3.924 -1.699 0.795 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -3.092 -2.497 0.091 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -2.132 1.337 0.907 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 -1.918 -1.991 -0.351 0.00 0.00 +0.101 A ATOM 9 C LIG 1 -0.951 1.417 0.345 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -0.135 2.512 0.292 0.00 0.00 -0.291 N ATOM 11 C LIG 1 -0.465 3.603 -0.658 0.00 0.00 +0.061 C ATOM 12 C LIG 1 -1.225 3.156 -1.950 0.00 0.00 +0.028 C ATOM 13 C LIG 1 -0.253 4.032 -2.762 0.00 0.00 +0.004 C ATOM 14 C LIG 1 0.749 3.896 -1.601 0.00 0.00 +0.028 C ATOM 15 C LIG 1 -1.048 4.829 0.060 0.00 0.00 +0.185 C ATOM 16 O LIG 1 -0.116 5.403 0.996 0.00 0.00 -0.376 OA ATOM 17 C LIG 1 0.753 4.439 1.604 0.00 0.00 +0.179 C ATOM 18 C LIG 1 0.145 3.037 1.665 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -5.192 -2.304 1.251 0.00 0.00 +0.287 A ATOM 20 O LIG 1 -5.375 -3.610 0.918 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 -6.589 -3.917 1.446 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -7.143 -4.999 1.380 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -7.044 -2.780 2.053 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -7.925 -2.686 2.539 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -6.158 -1.758 1.930 0.00 0.00 -0.127 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 -1.095 -2.889 -1.148 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -0.992 -2.728 -2.539 0.00 0.00 +0.030 A ATOM 28 C LIG 1 -0.204 -3.598 -3.294 0.00 0.00 +0.042 A ATOM 29 CL LIG 1 -0.068 -3.365 -4.993 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 0.477 -4.648 -2.683 0.00 0.00 +0.020 A ATOM 31 C LIG 1 0.363 -4.836 -1.306 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -0.423 -3.966 -0.547 0.00 0.00 +0.010 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.715 -0.046 -0.829 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 4.676 0.462 2.086 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.295 -0.928 1.567 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.337 -0.986 0.037 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.227 -0.178 -0.638 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.901 -0.156 0.148 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.800 -1.369 1.076 0.00 0.00 +0.005 C ATOM 40 C LIG 1 2.928 -1.381 2.113 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5