REMARK Name = BDB006484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.627 -2.042 0.303 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.905 -2.666 1.331 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.507 -2.825 1.215 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.492 -3.390 2.066 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.710 -3.270 1.412 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.478 -2.643 0.202 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -3.067 -3.695 1.861 0.00 0.00 +0.064 C ATOM 8 C LIG 1 -0.271 -4.000 3.407 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.128 -2.366 0.059 0.00 0.00 +0.050 A ATOM 10 C LIG 1 0.587 -1.754 -0.986 0.00 0.00 +0.027 A ATOM 11 C LIG 1 1.972 -1.603 -0.848 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.671 -0.807 -0.165 0.00 0.00 -0.305 N ATOM 13 H LIG 1 4.052 -0.058 -0.443 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 4.099 -1.889 0.473 0.00 0.00 +0.245 C ATOM 15 O LIG 1 4.725 -2.676 1.173 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 6.072 -0.456 0.046 0.00 0.00 +0.103 C ATOM 17 C LIG 1 7.018 -1.463 -0.616 0.00 0.00 +0.033 C BRANCH 16 21 ATOM 18 C LIG 1 6.077 2.936 -3.725 0.00 0.00 +0.044 C ATOM 19 C LIG 1 6.359 2.581 -2.294 0.00 0.00 -0.050 A ATOM 20 C LIG 1 6.104 1.285 -1.821 0.00 0.00 +0.011 A ATOM 21 C LIG 1 6.337 0.943 -0.476 0.00 0.00 +0.008 A ATOM 22 C LIG 1 6.824 1.933 0.381 0.00 0.00 +0.128 A ATOM 23 F LIG 1 7.064 1.649 1.669 0.00 0.00 -0.205 F ATOM 24 C LIG 1 7.068 3.227 -0.069 0.00 0.00 +0.039 A ATOM 25 C LIG 1 6.830 3.553 -1.404 0.00 0.00 +0.006 A ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -2.496 -2.361 -0.812 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.362 -1.171 -0.471 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -2.807 0.063 -0.107 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.628 1.159 0.178 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.023 1.056 0.094 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.576 -0.177 -0.281 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.757 -1.274 -0.567 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -5.885 2.206 0.409 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -6.698 2.852 -0.545 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -7.564 3.892 -0.171 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -7.607 4.326 1.152 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.794 3.719 2.105 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -5.946 2.670 1.738 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -6.704 2.475 -1.971 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.693 2.251 -2.643 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -5.469 2.498 -2.500 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -5.602 2.255 -3.439 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 8