REMARK Name = BDB020662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.059 0.020 1.278 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.334 -0.455 1.399 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.485 -1.860 1.919 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.348 0.368 0.997 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.983 1.622 0.415 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.331 2.064 0.286 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -0.336 3.315 -0.295 0.00 0.00 +0.037 A ATOM 8 C LIG 1 1.002 3.659 -0.567 0.00 0.00 +0.018 A ATOM 9 C LIG 1 1.784 2.611 -0.134 0.00 0.00 +0.101 A ATOM 10 C LIG 1 -1.367 1.221 0.755 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 1.577 4.944 -1.234 0.00 0.00 +0.070 A ATOM 12 N LIG 1 0.908 6.048 -1.699 0.00 0.00 -0.267 N ATOM 13 C LIG 1 -0.511 6.303 -1.685 0.00 0.00 +0.173 C ATOM 14 N LIG 1 1.726 6.987 -2.225 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 2.943 6.458 -2.090 0.00 0.00 +0.135 A ATOM 16 C LIG 1 2.912 5.194 -1.480 0.00 0.00 +0.049 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 -3.101 -1.142 0.794 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -2.813 -1.022 -0.173 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.218 -0.779 1.781 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -2.318 -1.098 2.958 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.154 -2.106 1.034 0.00 0.00 +0.149 C BRANCH 21 23 ATOM 22 C LIG 1 -6.552 -1.415 0.671 0.00 0.00 +0.132 A ATOM 23 C LIG 1 -5.343 -1.764 0.196 0.00 0.00 +0.075 A ATOM 24 C LIG 1 -5.179 -1.855 -1.285 0.00 0.00 +0.257 A ATOM 25 O LIG 1 -4.094 -2.111 -1.800 0.00 0.00 -0.267 OA ATOM 26 N LIG 1 -6.298 -1.617 -2.046 0.00 0.00 -0.326 N ATOM 27 H LIG 1 -6.167 -1.692 -3.048 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 -7.535 -1.297 -1.535 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -8.647 -1.085 -2.515 0.00 0.00 +0.063 C ATOM 30 C LIG 1 -7.681 -1.194 -0.206 0.00 0.00 +0.067 A BRANCH 22 32 ATOM 31 C LIG 1 -6.616 -0.035 2.526 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -6.843 -1.350 2.017 0.00 0.00 -0.495 OA ENDBRANCH 22 32 ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 33 ATOM 33 C LIG 1 2.861 0.106 1.165 0.00 0.00 +0.101 C ATOM 34 C LIG 1 3.294 -0.701 2.401 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 3.518 -0.238 -0.107 0.00 0.00 -0.292 NA ATOM 36 C LIG 1 4.983 -0.127 -0.117 0.00 0.00 +0.100 C ATOM 37 C LIG 1 5.764 -1.424 0.211 0.00 0.00 +0.100 C ATOM 38 N LIG 1 5.316 -2.580 -0.585 0.00 0.00 -0.292 NA ATOM 39 C LIG 1 3.856 -2.743 -0.466 0.00 0.00 +0.100 C ATOM 40 C LIG 1 3.079 -1.452 -0.804 0.00 0.00 +0.100 C BRANCH 38 41 ATOM 41 C LIG 1 6.015 -3.836 -0.202 0.00 0.00 +0.198 C BRANCH 41 42 ATOM 42 C LIG 1 7.554 -3.885 -0.290 0.00 0.00 +0.402 C ATOM 43 F LIG 1 8.010 -3.500 -1.500 0.00 0.00 -0.169 F ATOM 44 F LIG 1 8.132 -3.097 0.647 0.00 0.00 -0.169 F ATOM 45 F LIG 1 7.994 -5.147 -0.072 0.00 0.00 -0.169 F ENDBRANCH 41 42 ENDBRANCH 38 41 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 9