REMARK Name = BDB027398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.192 0.145 0.052 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.140 0.250 0.490 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.457 1.348 1.295 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.412 2.314 1.673 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.692 2.207 1.250 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.101 1.151 0.432 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -2.607 3.278 1.699 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.974 3.040 1.948 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -4.824 4.066 2.372 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -4.317 5.344 2.559 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -5.131 6.326 2.967 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -2.975 5.615 2.334 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.128 4.588 1.910 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 1.075 -0.747 0.120 0.00 0.00 -0.326 N ATOM 15 C LIG 1 2.298 -0.178 -0.525 0.00 0.00 +0.133 C ATOM 16 C LIG 1 3.150 -1.341 -1.130 0.00 0.00 +0.075 C ATOM 17 C LIG 1 3.487 -2.335 0.019 0.00 0.00 +0.031 C ATOM 18 C LIG 1 2.246 -2.796 0.795 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.409 -1.609 1.275 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 4.435 -0.747 -1.726 0.00 0.00 +0.063 A ATOM 21 N LIG 1 5.363 -0.280 -0.846 0.00 0.00 -0.246 NA ATOM 22 C LIG 1 6.516 0.269 -1.332 0.00 0.00 +0.142 A ATOM 23 C LIG 1 6.758 0.381 -2.692 0.00 0.00 +0.150 A ATOM 24 F LIG 1 7.887 0.939 -3.147 0.00 0.00 -0.203 F ATOM 25 C LIG 1 5.806 -0.073 -3.591 0.00 0.00 +0.042 A ATOM 26 C LIG 1 4.630 -0.642 -3.105 0.00 0.00 +0.028 A BRANCH 22 27 ATOM 27 C LIG 1 7.569 0.765 -0.371 0.00 0.00 +0.392 C ATOM 28 F LIG 1 8.713 0.023 -0.407 0.00 0.00 -0.202 F ATOM 29 F LIG 1 7.171 0.758 0.935 0.00 0.00 -0.202 F ENDBRANCH 22 27 ENDBRANCH 16 20 BRANCH 16 30 ATOM 30 N LIG 1 2.324 -2.064 -2.142 0.00 0.00 -0.319 NA ATOM 31 H LIG 1 1.390 -2.158 -1.733 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 2.685 -3.010 -2.249 0.00 0.00 +0.119 HD ENDBRANCH 16 30 ENDBRANCH 2 14 BRANCH 1 33 ATOM 33 C LIG 1 -1.572 -1.013 -0.849 0.00 0.00 +0.161 C BRANCH 33 38 ATOM 34 C LIG 1 -6.166 -2.384 -0.151 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -5.088 -1.783 -0.823 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -4.998 -1.096 -2.019 0.00 0.00 -0.231 NA ATOM 37 C LIG 1 -3.726 -0.774 -2.126 0.00 0.00 +0.202 A ATOM 38 N LIG 1 -3.000 -1.193 -1.042 0.00 0.00 -0.310 N ATOM 39 C LIG 1 -3.853 -1.852 -0.200 0.00 0.00 +0.166 A ATOM 40 N LIG 1 -3.567 -2.429 0.979 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -4.675 -2.959 1.533 0.00 0.00 +0.225 A ATOM 42 N LIG 1 -5.937 -2.961 1.050 0.00 0.00 -0.219 NA BRANCH 34 43 ATOM 43 N LIG 1 -7.462 -2.395 -0.649 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -8.152 -2.522 0.079 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -7.634 -1.683 -1.350 0.00 0.00 +0.144 HD ENDBRANCH 34 43 ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 8