REMARK Name = BDB024333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.474 -0.813 2.094 0.00 0.00 +0.240 C ATOM 2 N LIG 1 -0.753 -0.653 0.936 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -1.244 -0.853 0.070 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -1.119 -0.440 3.214 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.527 -0.134 0.773 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.964 -0.160 -0.501 0.00 0.00 -0.238 NA ATOM 7 C LIG 1 2.218 0.314 -0.736 0.00 0.00 +0.136 A ATOM 8 C LIG 1 3.092 0.861 0.217 0.00 0.00 +0.049 A ATOM 9 C LIG 1 2.584 0.852 1.521 0.00 0.00 +0.028 A ATOM 10 C LIG 1 1.308 0.352 1.802 0.00 0.00 +0.045 A BRANCH 8 11 ATOM 11 N LIG 1 4.376 1.334 -0.107 0.00 0.00 -0.318 N ATOM 12 C LIG 1 4.513 1.934 -1.472 0.00 0.00 +0.201 C ATOM 13 C LIG 1 5.822 2.683 -1.782 0.00 0.00 +0.233 C ATOM 14 O LIG 1 6.040 3.096 -2.922 0.00 0.00 -0.274 OA ATOM 15 N LIG 1 6.704 2.946 -0.737 0.00 0.00 -0.290 N ATOM 16 C LIG 1 6.621 2.140 0.468 0.00 0.00 +0.127 C ATOM 17 C LIG 1 5.176 1.973 0.946 0.00 0.00 +0.124 C BRANCH 15 18 ATOM 18 C LIG 1 8.002 3.565 -1.066 0.00 0.00 +0.221 C BRANCH 18 19 ATOM 19 C LIG 1 9.117 2.595 -1.453 0.00 0.00 +0.405 C ATOM 20 F LIG 1 9.466 1.827 -0.396 0.00 0.00 -0.169 F ATOM 21 F LIG 1 10.225 3.273 -1.834 0.00 0.00 -0.169 F ATOM 22 F LIG 1 8.768 1.770 -2.457 0.00 0.00 -0.169 F ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 23 ATOM 23 C LIG 1 -2.826 -1.548 1.879 0.00 0.00 +0.171 C BRANCH 23 24 ATOM 24 C LIG 1 -2.793 -2.943 2.486 0.00 0.00 -0.022 A ATOM 25 C LIG 1 -2.037 -3.982 1.905 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -2.043 -5.264 2.467 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -2.782 -5.519 3.630 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.510 -4.491 4.239 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.510 -3.210 3.668 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -3.200 -1.559 0.435 0.00 0.00 -0.301 NA ATOM 31 H LIG 1 -2.769 -2.369 0.001 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.658 -1.690 0.267 0.00 0.00 +0.089 C BRANCH 32 34 ATOM 33 C LIG 1 -6.597 -1.711 -1.359 0.00 0.00 +0.014 C ATOM 34 C LIG 1 -5.095 -1.453 -1.207 0.00 0.00 +0.030 C BRANCH 34 35 ATOM 35 C LIG 1 -4.749 -0.065 -1.719 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -5.194 1.091 -1.057 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -4.862 2.361 -1.535 0.00 0.00 +0.019 A ATOM 38 C LIG 1 -4.073 2.487 -2.680 0.00 0.00 +0.052 A ATOM 39 C LIG 1 -3.626 1.343 -3.344 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -3.960 0.074 -2.868 0.00 0.00 +0.005 A BRANCH 38 41 ATOM 41 C LIG 1 -3.716 3.787 -3.169 0.00 0.00 +0.099 C ATOM 42 N LIG 1 -3.443 4.844 -3.567 0.00 0.00 -0.191 NA ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11