REMARK Name = BDB010773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.463 -0.278 -0.607 0.00 0.00 -0.324 N ATOM 2 C LIG 1 -0.912 0.936 -1.088 0.00 0.00 +0.114 A ATOM 3 C LIG 1 -1.248 0.668 -2.409 0.00 0.00 +0.182 A ATOM 4 N LIG 1 -1.667 1.585 -3.292 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -1.740 2.814 -2.776 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -1.475 3.177 -1.502 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -1.141 -0.656 -2.692 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -1.077 2.235 -0.618 0.00 0.00 +0.102 A ATOM 9 C LIG 1 -0.720 -1.227 -1.584 0.00 0.00 +0.123 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -0.919 2.696 0.752 0.00 0.00 +0.024 A ATOM 11 C LIG 1 0.032 3.674 1.065 0.00 0.00 +0.143 A ATOM 12 N LIG 1 0.197 4.155 2.353 0.00 0.00 -0.145 N ATOM 13 O LIG 1 1.099 5.006 2.611 0.00 0.00 -0.164 OA ATOM 14 C LIG 1 -0.621 3.676 3.353 0.00 0.00 +0.153 A ATOM 15 C LIG 1 -1.595 2.731 3.075 0.00 0.00 +0.061 A ATOM 16 CL LIG 1 -2.605 2.148 4.337 0.00 0.00 -0.082 Cl ATOM 17 C LIG 1 -1.752 2.244 1.781 0.00 0.00 +0.033 A ENDBRANCH 8 10 BRANCH 5 18 ATOM 18 C LIG 1 -2.171 3.897 -3.683 0.00 0.00 +0.287 A ATOM 19 O LIG 1 -2.446 3.530 -4.962 0.00 0.00 -0.385 OA ATOM 20 C LIG 1 -2.810 4.691 -5.566 0.00 0.00 +0.436 A ATOM 21 O LIG 1 -3.141 4.819 -6.731 0.00 0.00 -0.221 OA ATOM 22 N LIG 1 -2.728 5.665 -4.610 0.00 0.00 -0.208 N ATOM 23 H LIG 1 -2.935 6.645 -4.752 0.00 0.00 +0.195 HD ATOM 24 N LIG 1 -2.322 5.162 -3.415 0.00 0.00 -0.127 NA ENDBRANCH 5 18 BRANCH 9 25 ATOM 25 C LIG 1 -0.617 -2.821 -1.456 0.00 0.00 +0.054 C ATOM 26 C LIG 1 -0.752 -3.547 -2.854 0.00 0.00 +0.019 C ATOM 27 C LIG 1 0.388 -4.480 -2.405 0.00 0.00 +0.003 C ATOM 28 C LIG 1 0.863 -3.336 -1.491 0.00 0.00 +0.019 C BRANCH 25 29 ATOM 29 C LIG 1 -1.645 -3.350 -0.327 0.00 0.00 -0.034 A ATOM 30 C LIG 1 -1.250 -4.112 0.793 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.164 -4.545 1.759 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.513 -4.233 1.633 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -3.947 -3.493 0.540 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.027 -3.065 -0.420 0.00 0.00 +0.004 A ENDBRANCH 25 29 ENDBRANCH 9 25 BRANCH 1 35 ATOM 35 C LIG 1 0.163 -0.548 0.675 0.00 0.00 +0.127 C BRANCH 35 40 ATOM 36 C LIG 1 5.224 0.930 2.354 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.783 0.472 2.582 0.00 0.00 -0.014 C ATOM 38 C LIG 1 3.640 -1.020 2.235 0.00 0.00 +0.003 C ATOM 39 C LIG 1 2.195 -1.372 1.903 0.00 0.00 +0.005 C ATOM 40 C LIG 1 1.703 -0.634 0.640 0.00 0.00 +0.009 C ATOM 41 C LIG 1 2.391 0.736 0.471 0.00 0.00 +0.005 C ATOM 42 C LIG 1 2.783 1.353 1.811 0.00 0.00 +0.003 C ENDBRANCH 35 40 ENDBRANCH 1 35 TORSDOF 6