REMARK Name = BDB033548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.070 0.510 -0.116 0.00 0.00 -0.320 N ATOM 2 C LIG 1 1.388 0.032 0.001 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.330 -1.296 -0.400 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.473 -2.109 -0.379 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.691 -1.563 0.040 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.752 -0.220 0.419 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.079 -1.620 -0.800 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.611 0.596 0.407 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.670 -0.539 -0.676 0.00 0.00 +0.132 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -0.874 4.383 1.074 0.00 0.00 +0.069 C ATOM 11 C LIG 1 -2.161 3.660 0.659 0.00 0.00 +0.037 C ATOM 12 C LIG 1 -1.852 2.225 0.203 0.00 0.00 +0.031 C ATOM 13 C LIG 1 -0.332 1.880 0.292 0.00 0.00 +0.048 C ATOM 14 C LIG 1 0.372 2.935 -0.607 0.00 0.00 +0.031 C ATOM 15 C LIG 1 0.026 2.131 1.794 0.00 0.00 +0.031 C ATOM 16 C LIG 1 0.080 4.362 -0.136 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -0.214 3.588 2.212 0.00 0.00 +0.037 C BRANCH 10 19 ATOM 18 C LIG 1 -1.922 6.055 2.490 0.00 0.00 +0.194 C ATOM 19 O LIG 1 -1.078 5.757 1.389 0.00 0.00 -0.377 OA ENDBRANCH 10 19 ENDBRANCH 1 13 BRANCH 5 20 ATOM 20 C LIG 1 4.883 -2.385 0.052 0.00 0.00 +0.047 A ATOM 21 C LIG 1 5.671 -2.618 1.159 0.00 0.00 +0.142 A ATOM 22 C LIG 1 5.631 -2.199 2.573 0.00 0.00 +0.090 C ATOM 23 O LIG 1 6.700 -3.436 0.809 0.00 0.00 -0.359 OA ATOM 24 N LIG 1 6.599 -3.767 -0.528 0.00 0.00 -0.083 NA ATOM 25 C LIG 1 5.505 -3.140 -0.978 0.00 0.00 +0.088 A ATOM 26 C LIG 1 5.098 -3.284 -2.395 0.00 0.00 +0.070 C ENDBRANCH 5 20 BRANCH 9 27 ATOM 27 C LIG 1 -2.108 -0.542 -1.168 0.00 0.00 +0.147 C ATOM 28 N LIG 1 -2.691 -1.905 -1.057 0.00 0.00 -0.261 N ATOM 29 C LIG 1 -2.482 -2.846 -2.078 0.00 0.00 +0.220 C ATOM 30 O LIG 1 -2.588 -4.068 -1.943 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 -2.261 -2.310 -3.483 0.00 0.00 +0.096 C ATOM 32 C LIG 1 -1.562 -0.975 -3.583 0.00 0.00 +0.011 C ATOM 33 C LIG 1 -2.182 0.000 -2.602 0.00 0.00 +0.031 C BRANCH 28 34 ATOM 34 C LIG 1 -3.267 -2.315 0.207 0.00 0.00 +0.040 A ATOM 35 C LIG 1 -2.996 -1.635 1.405 0.00 0.00 +0.064 A ATOM 36 C LIG 1 -3.590 -2.029 2.606 0.00 0.00 +0.160 A ATOM 37 F LIG 1 -3.301 -1.352 3.726 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -4.468 -3.099 2.644 0.00 0.00 +0.159 A ATOM 39 F LIG 1 -5.040 -3.467 3.798 0.00 0.00 -0.202 F ATOM 40 C LIG 1 -4.764 -3.788 1.480 0.00 0.00 +0.043 A ATOM 41 C LIG 1 -4.170 -3.394 0.273 0.00 0.00 +0.026 A ENDBRANCH 28 34 ENDBRANCH 9 27 TORSDOF 5