REMARK Name = BDB028056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.405 0.233 -0.622 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.404 1.023 -1.198 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.382 1.671 -2.227 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.751 0.979 -0.292 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -1.981 1.596 -0.431 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.933 1.397 0.578 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.606 0.591 1.696 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.348 -0.029 1.822 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.428 0.183 0.800 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.965 -0.334 0.646 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.923 -1.109 -0.947 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.629 -0.807 -0.456 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.692 -0.033 -1.168 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.074 0.454 -2.419 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.338 0.178 -2.941 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.244 -0.592 -2.215 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.983 -1.964 -0.093 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.827 -3.046 -0.823 0.00 0.00 +0.174 C ATOM 19 O LIG 1 6.520 -4.026 0.203 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.429 -3.200 0.670 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.806 -1.053 0.840 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 6.359 2.041 0.725 0.00 0.00 +0.151 C ATOM 23 N LIG 1 7.391 1.300 0.053 0.00 0.00 -0.320 N ATOM 24 C LIG 1 7.620 -0.052 0.091 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.665 -0.317 -0.667 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 9.113 0.861 -1.212 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 8.339 1.822 -0.771 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -1.005 -0.894 3.005 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.119 -0.463 3.643 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.751 -2.181 2.644 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.978 -0.948 3.953 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.301 2.044 0.479 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.396 1.060 0.487 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 -6.699 1.705 0.675 0.00 0.00 +0.097 C ATOM 35 C LIG 1 -7.759 0.640 0.995 0.00 0.00 +0.108 C ATOM 36 C LIG 1 -7.622 -0.614 0.106 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -6.755 -0.336 -1.125 0.00 0.00 +0.108 C ATOM 38 C LIG 1 -5.372 0.190 -0.709 0.00 0.00 +0.097 C BRANCH 35 39 ATOM 39 C LIG 1 -9.137 1.267 0.881 0.00 0.00 +0.394 C ATOM 40 F LIG 1 -9.390 1.663 -0.386 0.00 0.00 -0.170 F ATOM 41 F LIG 1 -9.248 2.350 1.680 0.00 0.00 -0.170 F ATOM 42 F LIG 1 -10.102 0.394 1.240 0.00 0.00 -0.170 F ENDBRANCH 35 39 BRANCH 37 43 ATOM 43 C LIG 1 -6.599 -1.564 -2.003 0.00 0.00 +0.394 C ATOM 44 F LIG 1 -5.853 -1.284 -3.094 0.00 0.00 -0.170 F ATOM 45 F LIG 1 -7.801 -2.003 -2.435 0.00 0.00 -0.170 F ATOM 46 F LIG 1 -6.003 -2.579 -1.343 0.00 0.00 -0.170 F ENDBRANCH 37 43 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9