REMARK Name = BDB058252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.583 0.672 0.901 0.00 0.00 +0.074 A ATOM 2 N LIG 1 4.099 -0.557 1.252 0.00 0.00 -0.255 NA ATOM 3 C LIG 1 2.768 -0.771 1.147 0.00 0.00 +0.118 A ATOM 4 C LIG 1 1.902 0.203 0.713 0.00 0.00 +0.006 A ATOM 5 C LIG 1 0.422 0.162 0.513 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.022 -0.694 -0.682 0.00 0.00 +0.252 C ATOM 7 O LIG 1 0.359 -0.567 -1.836 0.00 0.00 -0.272 OA ATOM 8 N LIG 1 -0.890 -1.651 -0.220 0.00 0.00 -0.215 N ATOM 9 C LIG 1 -0.971 -1.591 1.136 0.00 0.00 +0.310 C ATOM 10 O LIG 1 -1.508 -2.393 1.879 0.00 0.00 -0.252 OA ATOM 11 N LIG 1 -0.294 -0.481 1.579 0.00 0.00 -0.281 N ATOM 12 H LIG 1 -0.133 -0.337 2.566 0.00 0.00 +0.152 HD ATOM 13 C LIG 1 0.075 1.652 0.363 0.00 0.00 +0.045 C ATOM 14 C LIG 1 1.338 2.344 -0.171 0.00 0.00 +0.038 C ATOM 15 C LIG 1 2.414 1.448 0.353 0.00 0.00 -0.038 A ATOM 16 C LIG 1 3.771 1.705 0.440 0.00 0.00 +0.032 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 9.423 -0.255 1.486 0.00 0.00 +0.172 C ATOM 18 N LIG 1 8.159 0.412 1.275 0.00 0.00 -0.274 N ATOM 19 N LIG 1 8.122 1.756 1.192 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 6.820 2.020 1.046 0.00 0.00 +0.144 A ATOM 21 C LIG 1 6.019 0.853 1.032 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.931 -0.173 1.179 0.00 0.00 +0.118 A ENDBRANCH 1 21 BRANCH 8 23 ATOM 23 C LIG 1 -1.398 -2.740 -1.035 0.00 0.00 +0.213 C BRANCH 23 24 ATOM 24 C LIG 1 -2.451 -2.249 -2.031 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.653 -1.730 -1.574 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -4.410 -0.798 -2.451 0.00 0.00 +0.218 C ATOM 27 C LIG 1 -3.727 0.574 -2.435 0.00 0.00 +0.260 C ATOM 28 O LIG 1 -2.997 0.840 -1.214 0.00 0.00 -0.489 OA ATOM 29 C LIG 1 -3.751 0.788 -0.069 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -4.249 -0.411 0.463 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -4.938 -0.348 1.692 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -5.113 0.867 2.347 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -4.601 2.042 1.819 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -5.807 0.904 3.495 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -3.905 1.998 0.616 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.115 -1.767 -0.188 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -2.245 -2.351 -3.240 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -4.771 -1.194 -3.889 0.00 0.00 +0.411 C ATOM 39 F LIG 1 -5.239 -2.460 -3.957 0.00 0.00 -0.168 F ATOM 40 F LIG 1 -5.788 -0.383 -4.316 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -3.778 -1.045 -4.782 0.00 0.00 -0.168 F ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 4