REMARK Name = BDB010152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.174 -1.869 -0.412 0.00 0.00 +0.199 A ATOM 2 N LIG 1 0.140 -0.952 -0.386 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.565 -1.151 0.781 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.038 -2.261 1.348 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.386 -2.856 2.472 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.478 -2.265 2.980 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.110 -1.165 2.509 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.655 -0.552 1.403 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.117 -2.672 0.623 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 2.085 -1.889 -1.407 0.00 0.00 -0.307 N ATOM 11 H LIG 1 2.228 -1.076 -2.009 0.00 0.00 +0.150 HD BRANCH 10 13 ATOM 12 C LIG 1 3.421 -3.844 -1.978 0.00 0.00 +0.034 C ATOM 13 C LIG 1 3.379 -2.546 -1.174 0.00 0.00 +0.119 C BRANCH 13 14 ATOM 14 C LIG 1 4.496 -1.592 -1.615 0.00 0.00 +0.061 A ATOM 15 N LIG 1 4.138 -0.512 -2.374 0.00 0.00 -0.258 NA ATOM 16 C LIG 1 5.122 0.330 -2.755 0.00 0.00 +0.111 A ATOM 17 C LIG 1 6.455 0.158 -2.422 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.805 -0.943 -1.650 0.00 0.00 +0.003 A ATOM 19 C LIG 1 5.817 -1.833 -1.238 0.00 0.00 +0.025 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 C LIG 1 -2.092 -2.884 4.210 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -3.084 -2.495 4.806 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -1.440 -3.988 4.643 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -1.956 -4.277 5.422 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.228 0.611 0.927 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -1.511 1.261 0.614 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.349 1.303 1.576 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -3.184 1.502 3.080 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.733 0.738 1.232 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -5.139 -0.748 1.455 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.010 -0.621 0.187 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.051 0.497 -0.273 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 -0.240 -0.074 -1.485 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 0.212 1.358 -1.304 0.00 0.00 -0.028 A ATOM 34 C LIG 1 1.503 1.688 -0.867 0.00 0.00 +0.006 A ATOM 35 C LIG 1 1.899 3.024 -0.746 0.00 0.00 +0.013 A ATOM 36 C LIG 1 1.018 4.063 -1.075 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.270 3.737 -1.521 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.664 2.401 -1.645 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 1.429 5.508 -0.932 0.00 0.00 +0.417 C ATOM 40 F LIG 1 0.895 6.089 0.176 0.00 0.00 -0.166 F ATOM 41 F LIG 1 2.777 5.683 -0.834 0.00 0.00 -0.166 F ATOM 42 F LIG 1 1.032 6.274 -1.986 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11