REMARK Name = BDB005329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.795 -0.562 -0.645 0.00 0.00 +0.149 A ATOM 2 N LIG 1 -1.020 0.098 0.316 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.259 -0.298 0.077 0.00 0.00 +0.077 A ATOM 4 C LIG 1 1.617 -0.086 0.610 0.00 0.00 +0.161 C ATOM 5 N LIG 1 2.389 -0.927 -0.349 0.00 0.00 -0.248 N ATOM 6 C LIG 1 1.559 -1.611 -1.284 0.00 0.00 +0.272 C ATOM 7 O LIG 1 1.859 -2.478 -2.087 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.227 -1.143 -0.984 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -1.034 -1.310 -1.442 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.770 -1.062 -0.316 0.00 0.00 +0.104 A ATOM 11 C LIG 1 4.539 -1.150 -1.629 0.00 0.00 +0.273 A ATOM 12 O LIG 1 4.007 -0.848 -2.695 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 5.893 -1.488 -1.524 0.00 0.00 -0.315 N ATOM 14 C LIG 1 6.665 -1.635 -2.747 0.00 0.00 +0.152 C ATOM 15 C LIG 1 6.556 -1.495 -0.309 0.00 0.00 +0.108 A ATOM 16 C LIG 1 5.905 -1.253 0.835 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 6.732 -1.233 2.344 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 4.479 -1.045 0.827 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 2.052 1.369 0.609 0.00 0.00 -0.021 A ATOM 20 C LIG 1 2.342 2.013 1.824 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.736 3.354 1.842 0.00 0.00 +0.020 A ATOM 22 C LIG 1 2.845 4.062 0.647 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 3.329 5.712 0.675 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 2.566 3.441 -0.566 0.00 0.00 +0.020 A ATOM 25 C LIG 1 2.171 2.101 -0.586 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 -5.901 -0.217 -1.225 0.00 0.00 +0.321 A ATOM 27 N LIG 1 -5.498 -1.083 -0.283 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 -4.163 -1.193 -0.116 0.00 0.00 +0.231 A ATOM 29 C LIG 1 -3.233 -0.446 -0.816 0.00 0.00 +0.097 A ATOM 30 C LIG 1 -3.772 0.386 -1.773 0.00 0.00 +0.133 A ATOM 31 N LIG 1 -5.095 0.538 -1.983 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 -8.068 -0.932 -0.730 0.00 0.00 +0.280 C ATOM 33 O LIG 1 -7.246 -0.029 -1.456 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 -3.688 -2.064 0.849 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 -4.683 -2.948 1.355 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 -1.419 1.072 1.326 0.00 0.00 +0.083 C ATOM 37 C LIG 1 -2.427 0.546 2.345 0.00 0.00 +0.030 C ATOM 38 C LIG 1 -1.867 2.398 0.713 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6