REMARK Name = BDB022935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.735 -4.979 0.079 0.00 0.00 +0.028 C ATOM 2 C LIG 1 1.398 -3.634 -0.217 0.00 0.00 +0.078 C ATOM 3 N LIG 1 0.500 -2.577 -0.721 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -0.690 -2.299 -0.035 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -0.994 -2.903 0.993 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 1.265 -1.484 -1.337 0.00 0.00 +0.163 C ATOM 7 C LIG 1 2.308 -0.939 -0.376 0.00 0.00 +0.067 A ATOM 8 C LIG 1 2.766 -1.723 0.676 0.00 0.00 -0.005 A ATOM 9 C LIG 1 3.721 -1.134 1.470 0.00 0.00 +0.120 A ATOM 10 N LIG 1 4.212 0.099 1.251 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 3.724 0.786 0.207 0.00 0.00 +0.220 A ATOM 12 N LIG 1 2.784 0.301 -0.623 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 2.214 -3.094 0.973 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -1.630 -1.235 -0.630 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -2.862 -1.001 0.286 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -3.913 -2.132 0.135 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.249 -2.462 -1.262 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -5.223 -3.552 -1.307 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.053 -2.806 -2.032 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -2.066 -1.638 -2.047 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -3.399 0.422 0.119 0.00 0.00 -0.039 A ATOM 22 C LIG 1 -2.801 1.461 0.859 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -3.228 2.789 0.744 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -4.271 3.092 -0.128 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -4.873 2.077 -0.873 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -4.440 0.755 -0.753 0.00 0.00 +0.004 A BRANCH 23 27 ATOM 27 O LIG 1 -2.544 3.671 1.531 0.00 0.00 -0.406 OA BRANCH 27 28 ATOM 28 C LIG 1 -2.913 5.037 1.466 0.00 0.00 +0.575 C ATOM 29 F LIG 1 -2.737 5.532 0.221 0.00 0.00 -0.133 F ATOM 30 F LIG 1 -4.196 5.218 1.846 0.00 0.00 -0.133 F ATOM 31 F LIG 1 -2.124 5.740 2.309 0.00 0.00 -0.133 F ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 32 ATOM 32 N LIG 1 4.172 2.074 -0.089 0.00 0.00 -0.281 N ATOM 33 H LIG 1 3.662 2.399 -0.900 0.00 0.00 +0.155 HD BRANCH 32 34 ATOM 34 C LIG 1 5.086 2.851 0.520 0.00 0.00 +0.071 A ATOM 35 C LIG 1 5.417 4.123 0.121 0.00 0.00 +0.131 A ATOM 36 N LIG 1 6.371 4.553 0.998 0.00 0.00 -0.273 N ATOM 37 C LIG 1 7.035 5.833 1.000 0.00 0.00 +0.172 C ATOM 38 N LIG 1 6.688 3.645 1.940 0.00 0.00 -0.178 NA ATOM 39 C LIG 1 5.898 2.605 1.647 0.00 0.00 +0.157 A ENDBRANCH 32 34 ENDBRANCH 11 32 TORSDOF 6