REMARK Name = BDB016837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.029 0.705 -0.143 0.00 0.00 +0.138 A ATOM 2 N LIG 1 1.122 -0.348 0.011 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -0.088 0.255 0.188 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.496 -0.106 0.422 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.105 1.270 0.551 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.120 2.297 0.369 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.241 3.510 0.407 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.118 1.592 0.150 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.420 1.885 -0.054 0.00 0.00 -0.223 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.449 1.476 0.877 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.276 0.470 1.235 0.00 0.00 +0.118 A ATOM 12 N LIG 1 -5.607 0.730 1.544 0.00 0.00 -0.285 N ATOM 13 C LIG 1 -6.171 1.990 1.520 0.00 0.00 +0.164 A ATOM 14 N LIG 1 -7.437 1.913 1.868 0.00 0.00 -0.129 NA ATOM 15 N LIG 1 -7.725 0.593 2.123 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 -5.341 3.089 1.140 0.00 0.00 -0.004 A ATOM 17 C LIG 1 -5.863 4.502 1.065 0.00 0.00 +0.047 C ATOM 18 C LIG 1 -6.630 -0.113 1.925 0.00 0.00 +0.135 A ATOM 19 C LIG 1 -6.493 -1.578 2.076 0.00 0.00 +0.088 C ATOM 20 C LIG 1 -4.047 2.821 0.836 0.00 0.00 +0.032 A ENDBRANCH 5 10 BRANCH 4 21 ATOM 21 C LIG 1 -2.086 -0.933 -0.709 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -2.313 -0.386 -1.985 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -2.846 -1.169 -3.012 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.153 -2.506 -2.777 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -3.805 -3.471 -4.042 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -2.931 -3.069 -1.522 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -2.398 -2.288 -0.493 0.00 0.00 +0.007 A ENDBRANCH 4 21 BRANCH 1 31 ATOM 28 N LIG 1 6.256 0.039 -0.498 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 5.571 0.596 -1.677 0.00 0.00 +0.089 C ATOM 30 C LIG 1 4.085 0.210 -1.657 0.00 0.00 +0.054 C ATOM 31 C LIG 1 3.426 0.494 -0.326 0.00 0.00 -0.006 C ATOM 32 C LIG 1 4.210 0.727 0.747 0.00 0.00 -0.005 C ATOM 33 C LIG 1 5.710 0.648 0.726 0.00 0.00 +0.112 C BRANCH 28 35 ATOM 34 C LIG 1 8.497 -0.478 0.480 0.00 0.00 +0.020 C ATOM 35 C LIG 1 7.709 0.241 -0.610 0.00 0.00 +0.081 C ENDBRANCH 28 35 ENDBRANCH 1 31 BRANCH 2 36 ATOM 36 C LIG 1 1.327 -1.792 0.019 0.00 0.00 +0.083 C ATOM 37 C LIG 1 1.349 -2.381 -1.391 0.00 0.00 +0.030 C ATOM 38 C LIG 1 2.505 -2.284 0.860 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 5