REMARK Name = BDB055112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.590 3.862 -0.472 0.00 0.00 +0.077 A ATOM 2 C LIG 1 -1.264 3.488 -0.712 0.00 0.00 +0.108 A ATOM 3 C LIG 1 -0.319 4.322 -1.280 0.00 0.00 +0.180 A ATOM 4 N LIG 1 0.891 3.699 -1.388 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 0.718 2.476 -0.911 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -0.586 5.588 -1.667 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 -1.870 5.961 -1.457 0.00 0.00 +0.135 A ATOM 8 N LIG 1 -0.584 2.319 -0.491 0.00 0.00 -0.335 N ATOM 9 H LIG 1 -0.994 1.490 -0.087 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -2.878 5.175 -0.890 0.00 0.00 +0.082 A ATOM 11 CL LIG 1 -4.451 5.876 -0.738 0.00 0.00 -0.080 Cl ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 1.751 1.438 -0.826 0.00 0.00 +0.020 A ATOM 13 C LIG 1 1.480 0.127 -0.434 0.00 0.00 +0.051 A ATOM 14 C LIG 1 2.509 -0.821 -0.369 0.00 0.00 +0.145 A ATOM 15 F LIG 1 2.154 -2.066 -0.008 0.00 0.00 -0.204 F ATOM 16 C LIG 1 3.850 -0.524 -0.688 0.00 0.00 +0.065 A ATOM 17 C LIG 1 4.095 0.800 -1.081 0.00 0.00 +0.027 A ATOM 18 C LIG 1 3.072 1.759 -1.151 0.00 0.00 +0.013 A BRANCH 16 19 ATOM 19 N LIG 1 4.878 -1.454 -0.620 0.00 0.00 -0.325 N ATOM 20 C LIG 1 6.130 -1.290 -1.377 0.00 0.00 +0.120 C ATOM 21 C LIG 1 6.741 -2.666 -1.731 0.00 0.00 +0.103 C ATOM 22 N LIG 1 7.071 -3.502 -0.557 0.00 0.00 -0.302 NA ATOM 23 C LIG 1 7.125 -4.912 -0.932 0.00 0.00 +0.105 C ATOM 24 C LIG 1 6.122 -3.266 0.553 0.00 0.00 +0.103 C ATOM 25 C LIG 1 4.738 -2.701 0.152 0.00 0.00 +0.120 C ENDBRANCH 16 19 ENDBRANCH 5 12 BRANCH 1 29 ATOM 26 N LIG 1 -5.081 0.979 1.321 0.00 0.00 -0.294 NA ATOM 27 C LIG 1 -5.076 2.341 1.908 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -3.883 3.245 1.486 0.00 0.00 +0.120 C ATOM 29 N LIG 1 -3.442 2.936 0.109 0.00 0.00 -0.325 N ATOM 30 C LIG 1 -4.515 2.422 -0.757 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -5.067 1.095 -0.167 0.00 0.00 +0.103 C BRANCH 26 32 ATOM 32 C LIG 1 -3.906 0.225 1.813 0.00 0.00 +0.143 C BRANCH 32 37 ATOM 33 C LIG 1 -5.191 -4.680 1.116 0.00 0.00 +0.089 C ATOM 34 C LIG 1 -4.620 -3.325 1.208 0.00 0.00 +0.135 A ATOM 35 O LIG 1 -3.364 -3.164 0.713 0.00 0.00 -0.360 OA ATOM 36 N LIG 1 -2.966 -1.849 0.877 0.00 0.00 -0.082 NA ATOM 37 C LIG 1 -3.999 -1.230 1.470 0.00 0.00 +0.098 A ATOM 38 C LIG 1 -5.069 -2.127 1.702 0.00 0.00 +0.072 A ENDBRANCH 32 37 ENDBRANCH 26 32 ENDBRANCH 1 29 TORSDOF 5