REMARK Name = BDB024148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.752 -1.878 -1.318 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.613 -3.150 -0.490 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.146 -3.133 0.836 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.029 -4.317 1.565 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.386 -5.532 0.986 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.871 -5.565 -0.319 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.988 -4.382 -1.051 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.643 -1.373 -1.076 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.722 -2.375 -1.179 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.629 -0.821 -1.110 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.894 0.379 -1.066 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.249 0.644 -0.471 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -3.015 1.284 -0.489 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -1.825 0.661 -0.681 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.834 -0.666 -0.877 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -3.017 -1.398 -0.877 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.232 -0.736 -0.673 0.00 0.00 +0.013 A BRANCH 12 22 ATOM 18 C LIG 1 -7.581 4.064 0.900 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -6.954 2.883 0.359 0.00 0.00 -0.274 N ATOM 20 N LIG 1 -7.712 1.938 -0.221 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -6.825 1.013 -0.598 0.00 0.00 +0.143 A ATOM 22 C LIG 1 -5.494 1.358 -0.261 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -5.621 2.583 0.364 0.00 0.00 +0.116 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 3.104 -1.264 -1.312 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 2.996 -0.302 -1.651 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 3.837 -1.233 -0.042 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 3.457 -0.117 0.947 0.00 0.00 +0.053 C BRANCH 27 28 ATOM 28 C LIG 1 3.983 1.249 0.571 0.00 0.00 -0.011 A ATOM 29 C LIG 1 5.357 1.514 0.601 0.00 0.00 +0.128 A ATOM 30 F LIG 1 6.213 0.553 0.975 0.00 0.00 -0.205 F ATOM 31 C LIG 1 5.868 2.764 0.261 0.00 0.00 +0.057 A ATOM 32 C LIG 1 4.995 3.785 -0.115 0.00 0.00 +0.055 A ATOM 33 C LIG 1 3.617 3.544 -0.140 0.00 0.00 +0.019 A ATOM 34 C LIG 1 3.115 2.285 0.206 0.00 0.00 +0.008 A BRANCH 32 35 ATOM 35 C LIG 1 5.506 5.076 -0.468 0.00 0.00 +0.099 C ATOM 36 N LIG 1 5.924 6.121 -0.751 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9