REMARK Name = BDB018622 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.701 -1.114 -0.922 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.421 -0.917 -2.271 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.497 -1.666 -2.899 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.086 0.071 -2.989 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.050 0.860 -2.356 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -2.354 0.664 -0.999 0.00 0.00 -0.010 A ATOM 7 C LIG 1 -1.683 -0.343 -0.288 0.00 0.00 +0.023 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 2.719 0.145 1.689 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.318 -0.713 0.572 0.00 0.00 +0.105 C ATOM 10 N LIG 1 3.946 -1.907 1.108 0.00 0.00 -0.304 N ATOM 11 C LIG 1 3.308 -3.122 1.149 0.00 0.00 +0.152 A ATOM 12 N LIG 1 4.119 -4.010 1.675 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 5.295 -3.373 1.979 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 1.929 -3.347 0.640 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.326 -2.132 0.084 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.044 -2.188 -0.162 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.768 -3.084 0.268 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.200 -2.095 1.639 0.00 0.00 +0.183 A ATOM 19 C LIG 1 2.240 -1.113 -0.450 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 6.260 -1.100 1.822 0.00 0.00 +0.108 A ATOM 21 N LIG 1 6.005 0.164 1.401 0.00 0.00 -0.252 NA ATOM 22 C LIG 1 6.983 1.083 1.572 0.00 0.00 +0.111 A ATOM 23 C LIG 1 8.213 0.807 2.145 0.00 0.00 +0.020 A ATOM 24 C LIG 1 8.460 -0.491 2.570 0.00 0.00 +0.004 A ATOM 25 C LIG 1 7.473 -1.460 2.407 0.00 0.00 +0.031 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 -3.435 1.481 -0.333 0.00 0.00 +0.264 C BRANCH 26 27 ATOM 27 O LIG 1 -4.674 0.783 -0.509 0.00 0.00 -0.487 OA BRANCH 27 28 ATOM 28 C LIG 1 -5.741 1.632 -0.354 0.00 0.00 +0.133 A ATOM 29 C LIG 1 -6.558 1.968 -1.445 0.00 0.00 +0.078 A ATOM 30 C LIG 1 -7.632 2.849 -1.238 0.00 0.00 +0.017 A ATOM 31 C LIG 1 -7.905 3.356 0.035 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.111 2.985 1.117 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -6.034 2.120 0.925 0.00 0.00 +0.046 A BRANCH 29 34 ATOM 34 C LIG 1 -6.358 1.461 -2.834 0.00 0.00 +0.245 C ATOM 35 O LIG 1 -6.924 1.975 -3.793 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -5.539 0.385 -3.014 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -5.133 -0.112 -2.229 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -5.481 -0.023 -3.937 0.00 0.00 +0.145 HD ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6