REMARK Name = BDB019830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.188 -0.572 0.026 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.886 -0.086 -0.116 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.387 0.862 0.785 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.201 1.350 1.812 0.00 0.00 +0.018 A ATOM 5 C LIG 1 2.516 0.882 1.961 0.00 0.00 -0.029 A ATOM 6 C LIG 1 2.998 -0.085 1.063 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 3.968 -2.570 -2.367 0.00 0.00 -0.271 N ATOM 8 N LIG 1 2.961 -3.440 -2.184 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 2.162 -2.847 -1.271 0.00 0.00 +0.173 A ATOM 10 C LIG 1 2.691 -1.576 -0.890 0.00 0.00 +0.032 A ATOM 11 C LIG 1 3.857 -1.442 -1.611 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 0.904 -3.490 -0.751 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -0.212 -2.819 -1.161 0.00 0.00 -0.164 F ATOM 14 F LIG 1 0.742 -4.781 -1.144 0.00 0.00 -0.164 F ATOM 15 F LIG 1 0.861 -3.493 0.610 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 4.664 -2.532 -4.730 0.00 0.00 +0.029 C ATOM 17 C LIG 1 5.033 -2.887 -3.301 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 -1.000 1.381 0.652 0.00 0.00 +0.245 C ATOM 19 N LIG 1 -1.932 0.467 0.212 0.00 0.00 -0.304 N ATOM 20 H LIG 1 -1.693 -0.513 0.265 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -1.255 2.542 0.945 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.342 0.803 0.124 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 -4.218 -0.444 0.139 0.00 0.00 -0.027 A ATOM 24 C LIG 1 -5.387 -0.451 0.925 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -6.232 -1.569 0.961 0.00 0.00 -0.015 A ATOM 26 C LIG 1 -7.458 -1.583 1.823 0.00 0.00 +0.047 C ATOM 27 C LIG 1 -5.886 -2.695 0.214 0.00 0.00 +0.126 A ATOM 28 F LIG 1 -6.665 -3.785 0.246 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -4.741 -2.712 -0.575 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -3.912 -1.591 -0.617 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 -3.578 1.714 -1.062 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -3.276 1.303 -2.486 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -4.697 1.562 -2.070 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 3.397 1.402 3.077 0.00 0.00 +0.144 C BRANCH 34 35 ATOM 35 N LIG 1 3.715 2.802 2.919 0.00 0.00 -0.278 N ATOM 36 C LIG 1 3.026 3.804 3.518 0.00 0.00 +0.278 C ATOM 37 N LIG 1 2.147 3.749 4.443 0.00 0.00 -0.253 NA ATOM 38 H LIG 1 1.856 4.718 4.614 0.00 0.00 +0.191 HD ATOM 39 O LIG 1 3.372 5.011 2.999 0.00 0.00 -0.464 OA ATOM 40 C LIG 1 4.445 4.788 2.068 0.00 0.00 +0.251 C ATOM 41 C LIG 1 4.427 3.295 1.771 0.00 0.00 +0.151 C ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9