REMARK Name = BDB010154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.282 -0.700 -1.112 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -1.238 -0.285 -0.308 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.088 -0.891 -0.770 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.528 -1.658 -1.837 0.00 0.00 +0.185 A ATOM 5 N LIG 1 0.264 -2.454 -2.567 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.526 -2.442 -2.134 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.060 -1.725 -1.102 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.256 -0.899 -0.402 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.864 -1.503 -2.058 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.820 -2.298 0.617 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -4.484 -1.121 -0.100 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -3.553 -0.259 -0.911 0.00 0.00 -0.294 N ATOM 13 C LIG 1 -4.200 0.236 -2.159 0.00 0.00 +0.136 C ATOM 14 C LIG 1 -5.673 0.575 -1.897 0.00 0.00 +0.179 C ATOM 15 O LIG 1 -6.458 -0.560 -1.503 0.00 0.00 -0.376 OA ATOM 16 C LIG 1 -5.668 -1.628 -0.958 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 2.521 -3.289 -2.885 0.00 0.00 +0.375 C ATOM 18 O LIG 1 2.282 -4.034 -3.819 0.00 0.00 -0.242 OA BRANCH 17 19 ATOM 19 O LIG 1 3.776 -3.109 -2.382 0.00 0.00 -0.475 OA ATOM 20 H LIG 1 3.727 -2.466 -1.639 0.00 0.00 +0.296 HD ENDBRANCH 17 19 ENDBRANCH 6 17 BRANCH 8 21 ATOM 21 N LIG 1 1.739 -0.097 0.613 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.349 0.838 0.541 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 3.139 -0.060 1.049 0.00 0.00 +0.072 C ATOM 24 C LIG 1 4.079 0.412 -0.054 0.00 0.00 +0.028 C BRANCH 23 25 ATOM 25 C LIG 1 3.571 -1.344 1.763 0.00 0.00 +0.009 C ATOM 26 C LIG 1 4.855 -1.253 2.641 0.00 0.00 +0.005 C ATOM 27 C LIG 1 5.076 -2.749 2.343 0.00 0.00 +0.001 C ATOM 28 C LIG 1 4.277 -2.529 1.042 0.00 0.00 +0.005 C ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 8 21 BRANCH 2 29 ATOM 29 C LIG 1 -1.375 0.554 0.875 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C LIG 1 -0.890 1.975 0.678 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.234 2.625 1.737 0.00 0.00 +0.006 A ATOM 32 C LIG 1 0.208 3.943 1.603 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.013 4.651 0.415 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -0.684 4.011 -0.637 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.126 2.691 -0.503 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 0.467 6.074 0.251 0.00 0.00 +0.417 C ATOM 37 F LIG 1 0.887 6.641 1.416 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.496 6.899 -0.241 0.00 0.00 -0.166 F ATOM 39 F LIG 1 1.518 6.167 -0.609 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 9