REMARK Name = BDB057283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.748 -0.226 -0.527 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.573 0.671 -0.991 0.00 0.00 +0.237 C ATOM 3 N LIG 1 0.481 0.078 -1.657 0.00 0.00 -0.291 N ATOM 4 C LIG 1 1.638 0.877 -2.075 0.00 0.00 +0.126 C ATOM 5 C LIG 1 2.361 -0.034 -3.077 0.00 0.00 +0.030 C ATOM 6 C LIG 1 2.057 -1.442 -2.575 0.00 0.00 +0.021 C ATOM 7 C LIG 1 0.640 -1.321 -2.032 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -0.556 1.883 -0.755 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C LIG 1 2.522 1.281 -0.903 0.00 0.00 +0.080 A ATOM 10 N LIG 1 3.335 0.348 -0.333 0.00 0.00 -0.251 NA ATOM 11 C LIG 1 4.108 0.762 0.706 0.00 0.00 +0.064 A ATOM 12 C LIG 1 4.058 2.075 1.162 0.00 0.00 +0.134 A ATOM 13 N LIG 1 3.241 3.008 0.624 0.00 0.00 -0.260 NA ATOM 14 C LIG 1 2.474 2.581 -0.408 0.00 0.00 +0.136 A BRANCH 11 15 ATOM 15 C LIG 1 5.024 -0.247 1.350 0.00 0.00 +0.092 C BRANCH 15 16 ATOM 16 C LIG 1 6.493 0.022 1.120 0.00 0.00 -0.042 A ATOM 17 C LIG 1 7.037 -0.076 -0.170 0.00 0.00 +0.004 A ATOM 18 C LIG 1 8.392 0.176 -0.388 0.00 0.00 +0.000 A ATOM 19 C LIG 1 9.217 0.525 0.679 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.689 0.622 1.965 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.333 0.371 2.186 0.00 0.00 +0.004 A ENDBRANCH 15 16 ENDBRANCH 11 15 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 23 ATOM 22 C LIG 1 -3.309 1.430 0.544 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -2.401 0.393 0.638 0.00 0.00 -0.302 N ATOM 24 H LIG 1 -1.852 0.378 1.487 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -3.771 1.837 -0.521 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -3.675 2.091 1.902 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -4.126 1.057 2.930 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -4.639 4.241 2.505 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -4.781 3.051 1.681 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -4.752 3.325 0.691 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 1 31 ATOM 31 C LIG 1 -2.681 -0.617 -1.688 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 -3.707 -1.661 -1.301 0.00 0.00 -0.044 A ATOM 33 C LIG 1 -3.344 -3.008 -1.179 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -4.289 -3.973 -0.804 0.00 0.00 +0.053 A ATOM 35 CL LIG 1 -3.743 -5.606 -0.678 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 -5.614 -3.609 -0.543 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.973 -2.255 -0.668 0.00 0.00 +0.014 A ATOM 38 C LIG 1 -5.031 -1.294 -1.043 0.00 0.00 +0.004 A BRANCH 36 39 ATOM 39 C LIG 1 -6.645 -4.627 -0.137 0.00 0.00 +0.419 C ATOM 40 F LIG 1 -7.881 -4.085 0.072 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -6.334 -5.266 1.025 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -6.834 -5.599 -1.071 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 10