REMARK Name = BDB004936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.775 -1.490 -1.944 0.00 0.00 -0.026 A ATOM 2 C LIG 1 0.029 -0.358 -2.173 0.00 0.00 +0.028 A ATOM 3 C LIG 1 1.393 -0.353 -1.853 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.970 -1.519 -1.348 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.187 -2.653 -1.119 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.177 -2.638 -1.410 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.108 0.828 -2.127 0.00 0.00 -0.281 N ATOM 8 H LIG 1 1.682 1.463 -2.793 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 3.363 1.245 -1.754 0.00 0.00 +0.248 C ATOM 10 O LIG 1 3.934 2.125 -2.399 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 4.010 0.742 -0.522 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.303 0.655 0.680 0.00 0.00 +0.016 A ATOM 13 C LIG 1 3.954 0.212 1.835 0.00 0.00 +0.047 A ATOM 14 C LIG 1 5.310 -0.133 1.808 0.00 0.00 +0.130 A ATOM 15 C LIG 1 6.019 -0.014 0.609 0.00 0.00 +0.047 A ATOM 16 C LIG 1 5.373 0.431 -0.551 0.00 0.00 +0.016 A BRANCH 14 17 ATOM 17 O LIG 1 5.804 -0.555 3.008 0.00 0.00 -0.406 OA BRANCH 17 18 ATOM 18 C LIG 1 7.164 -0.950 3.064 0.00 0.00 +0.575 C ATOM 19 F LIG 1 7.445 -1.351 4.325 0.00 0.00 -0.133 F ATOM 20 F LIG 1 7.984 0.078 2.758 0.00 0.00 -0.133 F ATOM 21 F LIG 1 7.406 -1.986 2.232 0.00 0.00 -0.133 F ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 23 ATOM 22 C LIG 1 -2.453 -1.492 -3.793 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -2.261 -1.486 -2.271 0.00 0.00 +0.099 C BRANCH 23 24 ATOM 24 N LIG 1 -2.918 -0.293 -1.720 0.00 0.00 -0.322 N ATOM 25 H LIG 1 -3.800 -0.106 -2.189 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.179 -0.300 -0.329 0.00 0.00 +0.130 A ATOM 27 C LIG 1 -3.702 0.861 0.278 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -3.969 0.789 1.659 0.00 0.00 +0.088 A ATOM 29 C LIG 1 -4.506 1.936 2.280 0.00 0.00 +0.063 A ATOM 30 C LIG 1 -4.755 3.115 1.551 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -4.474 3.180 0.195 0.00 0.00 +0.002 A ATOM 32 N LIG 1 -3.709 -0.346 2.345 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 -3.195 -1.382 1.672 0.00 0.00 +0.223 A ATOM 34 C LIG 1 -3.949 2.061 -0.435 0.00 0.00 +0.013 A ATOM 35 N LIG 1 -2.927 -1.417 0.369 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 36 C LIG 1 -4.854 1.995 3.736 0.00 0.00 +0.244 C ATOM 37 O LIG 1 -5.265 3.028 4.254 0.00 0.00 -0.270 OA ATOM 38 N LIG 1 -4.715 0.865 4.486 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -4.298 0.029 4.087 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -4.884 0.916 5.481 0.00 0.00 +0.145 HD ENDBRANCH 29 36 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8