REMARK Name = BDB049092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.834 -0.422 -0.971 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.821 -1.045 -0.051 0.00 0.00 -0.038 A ATOM 3 C LIG 1 2.145 -1.564 1.216 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.165 -2.195 1.993 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.150 -2.282 1.535 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -0.508 -1.743 0.293 0.00 0.00 -0.041 A ATOM 7 C LIG 1 0.483 -1.114 -0.480 0.00 0.00 +0.008 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -1.950 -1.843 -0.185 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -2.126 -2.518 -1.583 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -3.178 -1.604 -2.247 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -2.818 -0.269 -1.762 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -2.609 -0.453 -0.324 0.00 0.00 +0.094 C BRANCH 9 13 ATOM 13 N LIG 1 -2.522 -3.952 -1.542 0.00 0.00 -0.304 NA ATOM 14 C LIG 1 -1.485 -4.770 -0.903 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -2.767 -4.473 -2.893 0.00 0.00 +0.104 C ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 C LIG 1 -3.839 0.729 -2.099 0.00 0.00 +0.122 C BRANCH 16 17 ATOM 17 C LIG 1 -3.450 2.144 -1.724 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.409 2.764 -2.435 0.00 0.00 +0.128 A ATOM 19 F LIG 1 -1.789 2.109 -3.433 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -1.995 4.062 -2.149 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -2.626 4.777 -1.135 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -3.669 4.189 -0.418 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.095 2.877 -0.699 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -5.239 2.307 0.095 0.00 0.00 +0.044 C ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 8 BRANCH 3 25 ATOM 25 C LIG 1 3.503 -1.494 1.812 0.00 0.00 +0.245 C ATOM 26 N LIG 1 4.074 -0.245 1.850 0.00 0.00 -0.306 N ATOM 27 H LIG 1 3.638 0.522 1.356 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 4.026 -2.499 2.279 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 5.446 -0.071 2.278 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C LIG 1 5.782 1.388 2.469 0.00 0.00 +0.058 A ATOM 31 N LIG 1 6.448 2.006 1.460 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 6.722 3.321 1.610 0.00 0.00 +0.111 A ATOM 33 C LIG 1 6.338 4.067 2.710 0.00 0.00 +0.020 A ATOM 34 C LIG 1 5.634 3.429 3.724 0.00 0.00 +0.003 A ATOM 35 C LIG 1 5.353 2.070 3.607 0.00 0.00 +0.025 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 7