REMARK Name = BDB024416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.692 1.526 -0.151 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.514 2.562 -1.255 0.00 0.00 -0.019 A ATOM 3 C LIG 1 1.674 2.283 -2.345 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.515 3.215 -3.365 0.00 0.00 +0.124 A ATOM 5 F LIG 1 0.706 2.933 -4.394 0.00 0.00 -0.205 F ATOM 6 C LIG 1 2.184 4.432 -3.335 0.00 0.00 +0.038 A ATOM 7 C LIG 1 3.028 4.723 -2.266 0.00 0.00 +0.003 A ATOM 8 C LIG 1 3.194 3.794 -1.234 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 9 C LIG 1 2.438 2.160 1.249 0.00 0.00 +0.240 C ATOM 10 N LIG 1 1.216 2.154 1.851 0.00 0.00 -0.269 N ATOM 11 H LIG 1 1.249 2.575 2.769 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 3.355 2.716 1.876 0.00 0.00 -0.273 OA BRANCH 10 13 ATOM 13 C LIG 1 -0.025 1.720 1.389 0.00 0.00 +0.125 A ATOM 14 N LIG 1 -0.172 1.224 0.152 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.417 0.840 -0.233 0.00 0.00 +0.121 A ATOM 16 C LIG 1 -2.555 0.926 0.561 0.00 0.00 +0.003 A ATOM 17 C LIG 1 -2.376 1.444 1.842 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -1.104 1.845 2.260 0.00 0.00 +0.044 A BRANCH 16 19 ATOM 19 C LIG 1 -3.852 0.501 0.066 0.00 0.00 +0.021 A ATOM 20 C LIG 1 -4.931 0.146 0.850 0.00 0.00 +0.117 A ATOM 21 N LIG 1 -5.929 -0.237 -0.005 0.00 0.00 -0.262 N ATOM 22 N LIG 1 -5.597 -0.082 -1.303 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -4.330 0.337 -1.256 0.00 0.00 +0.143 A BRANCH 21 24 ATOM 24 C LIG 1 -7.290 -0.618 0.344 0.00 0.00 +0.239 C BRANCH 24 25 ATOM 25 C LIG 1 -7.377 -1.915 1.128 0.00 0.00 +0.237 C ATOM 26 N LIG 1 -8.658 -2.450 1.315 0.00 0.00 -0.306 N ATOM 27 C LIG 1 -9.852 -1.954 0.646 0.00 0.00 +0.131 C ATOM 28 C LIG 1 -8.771 -3.765 1.927 0.00 0.00 +0.131 C ATOM 29 O LIG 1 -6.382 -2.457 1.613 0.00 0.00 -0.274 OA ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 16 19 ENDBRANCH 10 13 ENDBRANCH 1 9 BRANCH 1 30 ATOM 30 N LIG 1 4.063 0.949 -0.135 0.00 0.00 -0.301 NA ATOM 31 H LIG 1 4.726 1.689 0.091 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 4.430 0.247 -1.364 0.00 0.00 +0.089 C BRANCH 32 34 ATOM 33 C LIG 1 6.236 -1.042 -2.578 0.00 0.00 +0.014 C ATOM 34 C LIG 1 5.801 -0.461 -1.226 0.00 0.00 +0.030 C BRANCH 34 35 ATOM 35 C LIG 1 5.815 -1.541 -0.151 0.00 0.00 -0.043 A ATOM 36 C LIG 1 4.983 -2.668 -0.227 0.00 0.00 +0.005 A ATOM 37 C LIG 1 5.009 -3.643 0.774 0.00 0.00 +0.019 A ATOM 38 C LIG 1 5.869 -3.504 1.867 0.00 0.00 +0.052 A ATOM 39 C LIG 1 6.702 -2.386 1.953 0.00 0.00 +0.019 A ATOM 40 C LIG 1 6.674 -1.412 0.951 0.00 0.00 +0.005 A BRANCH 38 41 ATOM 41 C LIG 1 5.894 -4.503 2.894 0.00 0.00 +0.099 C ATOM 42 N LIG 1 5.917 -5.314 3.725 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 11