REMARK Name = BDB012567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.076 -0.709 0.364 0.00 0.00 -0.342 N ATOM 2 C LIG 1 0.728 -0.581 0.411 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -0.379 -0.423 -0.556 0.00 0.00 +0.161 C ATOM 4 N LIG 1 -1.521 -0.411 0.396 0.00 0.00 -0.239 N ATOM 5 C LIG 1 -1.123 -0.476 1.756 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -1.775 -0.468 2.786 0.00 0.00 -0.269 OA ATOM 7 C LIG 1 0.312 -0.587 1.711 0.00 0.00 +0.064 A ATOM 8 C LIG 1 1.449 -0.688 2.509 0.00 0.00 -0.014 A ATOM 9 C LIG 1 2.543 -0.758 1.662 0.00 0.00 +0.091 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.881 -0.396 -0.005 0.00 0.00 +0.131 A ATOM 11 N LIG 1 -3.808 -0.307 0.967 0.00 0.00 -0.211 NA ATOM 12 C LIG 1 -5.079 -0.292 0.536 0.00 0.00 +0.180 A ATOM 13 C LIG 1 -5.535 -0.357 -0.767 0.00 0.00 +0.134 A ATOM 14 N LIG 1 -6.904 -0.312 -0.774 0.00 0.00 -0.128 NA ATOM 15 N LIG 1 -7.321 -0.222 0.486 0.00 0.00 -0.063 NA ATOM 16 C LIG 1 -4.582 -0.454 -1.787 0.00 0.00 -0.016 A ATOM 17 C LIG 1 -4.923 -0.535 -3.242 0.00 0.00 +0.046 C ATOM 18 N LIG 1 -6.223 -0.209 1.274 0.00 0.00 -0.230 N ATOM 19 C LIG 1 -6.350 -0.119 2.701 0.00 0.00 +0.176 C ATOM 20 C LIG 1 -3.233 -0.476 -1.363 0.00 0.00 +0.049 A ENDBRANCH 4 10 BRANCH 1 25 ATOM 21 C LIG 1 7.047 -1.479 -1.517 0.00 0.00 +0.109 C ATOM 22 C LIG 1 6.166 -0.260 -1.546 0.00 0.00 +0.213 C ATOM 23 N LIG 1 4.824 -0.507 -1.422 0.00 0.00 -0.298 N ATOM 24 C LIG 1 3.794 0.457 -1.050 0.00 0.00 +0.134 C ATOM 25 C LIG 1 2.870 -0.758 -0.872 0.00 0.00 +0.122 C ATOM 26 C LIG 1 4.128 -1.641 -0.826 0.00 0.00 +0.134 C ATOM 27 O LIG 1 6.627 0.873 -1.661 0.00 0.00 -0.276 OA ENDBRANCH 1 25 BRANCH 3 28 ATOM 28 C LIG 1 -0.240 0.850 -1.377 0.00 0.00 -0.021 A ATOM 29 C LIG 1 -0.392 2.124 -0.801 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -0.242 3.280 -1.571 0.00 0.00 +0.020 A ATOM 31 C LIG 1 0.065 3.175 -2.925 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 0.248 4.597 -3.874 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 0.226 1.924 -3.514 0.00 0.00 +0.020 A ATOM 34 C LIG 1 0.076 0.767 -2.745 0.00 0.00 +0.007 A ENDBRANCH 3 28 BRANCH 8 35 ATOM 35 C LIG 1 1.491 -0.725 4.048 0.00 0.00 +0.021 C ATOM 36 C LIG 1 0.913 0.431 4.821 0.00 0.00 +0.009 C ATOM 37 C LIG 1 2.398 0.225 4.786 0.00 0.00 +0.009 C ENDBRANCH 8 35 TORSDOF 4