REMARK Name = BDB038572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.192 0.788 0.363 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.938 0.815 -0.262 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.868 0.113 0.285 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.022 -0.597 1.416 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -3.213 -0.626 2.059 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -4.305 0.072 1.557 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.603 0.124 -0.342 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.507 -0.602 0.095 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.653 -1.391 1.009 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.610 -0.267 -0.817 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.140 0.633 -1.767 0.00 0.00 -0.018 A ATOM 12 C LIG 1 1.982 1.117 -2.752 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.311 0.673 -2.763 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.787 -0.248 -1.801 0.00 0.00 -0.033 A ATOM 15 C LIG 1 2.916 -0.720 -0.806 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.298 0.925 -1.511 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 5.227 -0.705 -1.820 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 5.980 -0.071 -0.741 0.00 0.00 -0.311 NA ATOM 19 H LIG 1 5.905 0.939 -0.842 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.387 -0.474 -0.764 0.00 0.00 +0.087 C BRANCH 20 21 ATOM 21 C LIG 1 8.185 0.046 0.447 0.00 0.00 -0.020 C ATOM 22 C LIG 1 8.112 1.575 0.759 0.00 0.00 +0.008 C ATOM 23 C LIG 1 8.025 1.222 2.257 0.00 0.00 +0.001 C ATOM 24 C LIG 1 7.552 -0.189 1.855 0.00 0.00 +0.008 C ATOM 25 C LIG 1 9.636 -0.460 0.364 0.00 0.00 +0.012 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -6.573 0.827 -0.536 0.00 0.00 +0.028 A ATOM 27 C LIG 1 -5.353 1.481 -0.231 0.00 0.00 -0.007 A ATOM 28 C LIG 1 -5.259 2.864 -0.493 0.00 0.00 +0.010 A ATOM 29 C LIG 1 -6.331 3.580 -1.031 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -7.532 2.932 -1.314 0.00 0.00 +0.052 A ATOM 31 C LIG 1 -7.652 1.564 -1.062 0.00 0.00 +0.031 A BRANCH 26 34 ATOM 32 C LIG 1 -5.147 -1.640 -1.907 0.00 0.00 +0.152 C ATOM 33 N LIG 1 -6.153 -1.657 -0.880 0.00 0.00 -0.317 N ATOM 34 C LIG 1 -6.801 -0.598 -0.292 0.00 0.00 +0.164 A ATOM 35 N LIG 1 -7.706 -1.086 0.538 0.00 0.00 -0.129 NA ATOM 36 N LIG 1 -7.619 -2.457 0.527 0.00 0.00 -0.138 NA ATOM 37 C LIG 1 -6.681 -2.785 -0.327 0.00 0.00 +0.225 A ENDBRANCH 26 34 BRANCH 30 38 ATOM 38 C LIG 1 -8.636 3.666 -1.860 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -9.518 4.267 -2.315 0.00 0.00 -0.191 NA ENDBRANCH 30 38 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -3.327 -1.428 3.332 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -4.278 -2.601 3.410 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -2.799 -2.844 3.373 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 9