REMARK Name = BDB053283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.166 -0.328 1.166 0.00 0.00 -0.307 N ATOM 2 H LIG 1 0.278 -1.191 0.652 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 1.292 0.297 1.653 0.00 0.00 +0.244 C ATOM 4 O LIG 1 1.271 1.114 2.567 0.00 0.00 -0.270 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 2.587 -0.097 1.029 0.00 0.00 +0.037 A ATOM 6 C LIG 1 3.759 0.040 1.785 0.00 0.00 +0.016 A ATOM 7 C LIG 1 4.995 -0.315 1.238 0.00 0.00 +0.047 A ATOM 8 C LIG 1 5.062 -0.784 -0.076 0.00 0.00 +0.128 A ATOM 9 C LIG 1 3.898 -0.931 -0.831 0.00 0.00 +0.047 A ATOM 10 C LIG 1 2.661 -0.577 -0.285 0.00 0.00 +0.016 A BRANCH 8 11 ATOM 11 O LIG 1 6.241 -1.182 -0.663 0.00 0.00 -0.456 OA BRANCH 11 12 ATOM 12 C LIG 1 7.321 -0.336 -0.551 0.00 0.00 +0.129 A ATOM 13 C LIG 1 7.238 1.036 -0.814 0.00 0.00 +0.049 A ATOM 14 C LIG 1 8.383 1.828 -0.718 0.00 0.00 +0.042 A ATOM 15 C LIG 1 9.597 1.241 -0.377 0.00 0.00 +0.124 A ATOM 16 F LIG 1 10.695 2.003 -0.288 0.00 0.00 -0.205 F ATOM 17 C LIG 1 9.692 -0.126 -0.136 0.00 0.00 +0.042 A ATOM 18 C LIG 1 8.550 -0.921 -0.231 0.00 0.00 +0.049 A ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 3 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.110 -0.148 1.819 0.00 0.00 +0.143 C BRANCH 19 22 ATOM 20 C LIG 1 -3.924 -0.018 -0.746 0.00 0.00 -0.046 A ATOM 21 C LIG 1 -2.879 0.351 0.109 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -2.237 -0.598 0.925 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -2.631 -1.946 0.857 0.00 0.00 +0.125 A ATOM 24 C LIG 1 -3.670 -2.316 -0.001 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -4.312 -1.359 -0.794 0.00 0.00 +0.007 A BRANCH 23 26 ATOM 26 O LIG 1 -1.928 -2.815 1.651 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -2.359 -4.170 1.679 0.00 0.00 +0.277 C ENDBRANCH 23 26 BRANCH 20 28 ATOM 28 C LIG 1 -4.617 1.014 -1.602 0.00 0.00 +0.049 C BRANCH 28 29 ATOM 29 C LIG 1 -5.522 1.980 -0.811 0.00 0.00 +0.102 C BRANCH 29 31 ATOM 30 C LIG 1 -6.641 0.933 1.227 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -6.786 1.308 -0.242 0.00 0.00 +0.011 C ENDBRANCH 29 31 BRANCH 29 32 ATOM 32 C LIG 1 -5.944 3.112 -1.733 0.00 0.00 +0.308 C ATOM 33 O LIG 1 -5.995 3.042 -2.951 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 -6.287 4.238 -1.064 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 -6.220 4.164 -0.093 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 28 29 ENDBRANCH 20 28 ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 11