REMARK Name = BDB034575 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.248 0.468 -1.311 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.136 -0.419 -0.824 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.940 1.021 -1.753 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -1.086 2.071 -2.366 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.950 0.614 -0.965 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.595 0.213 -0.903 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.551 0.977 -1.446 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.853 2.179 -2.074 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.176 2.613 -2.151 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.204 1.844 -1.601 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 5.128 -0.288 -0.312 0.00 0.00 +0.080 C ATOM 12 C LIG 1 6.486 -0.296 -1.066 0.00 0.00 +0.177 C ATOM 13 O LIG 1 6.512 -1.737 -1.105 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 5.129 -1.796 -0.679 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.215 0.023 1.192 0.00 0.00 +0.248 C ATOM 16 F LIG 1 4.005 -0.300 1.747 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 7.672 1.398 2.541 0.00 0.00 +0.151 C ATOM 18 N LIG 1 7.366 -0.007 2.555 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.298 -0.645 1.973 0.00 0.00 +0.168 A ATOM 20 N LIG 1 6.383 -1.930 2.264 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 7.516 -2.134 3.012 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 8.095 -0.971 3.180 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -2.134 0.181 -1.410 0.00 0.00 +0.129 A ATOM 24 N LIG 1 -1.869 -0.980 -0.762 0.00 0.00 -0.227 NA ATOM 25 C LIG 1 -2.928 -1.742 -0.440 0.00 0.00 +0.133 A ATOM 26 N LIG 1 -4.197 -1.405 -0.747 0.00 0.00 -0.235 NA ATOM 27 C LIG 1 -4.419 -0.239 -1.399 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -3.394 0.607 -1.756 0.00 0.00 +0.057 A BRANCH 25 29 ATOM 29 C LIG 1 -2.686 -3.039 0.289 0.00 0.00 +0.057 C ATOM 30 C LIG 1 -1.876 -3.056 1.567 0.00 0.00 +0.012 C ATOM 31 C LIG 1 -3.355 -3.298 1.620 0.00 0.00 +0.012 C ENDBRANCH 25 29 BRANCH 27 32 ATOM 32 C LIG 1 -5.859 0.126 -1.703 0.00 0.00 +0.140 C BRANCH 32 33 ATOM 33 N LIG 1 -6.314 1.297 -0.939 0.00 0.00 -0.291 NA ATOM 34 C LIG 1 -6.583 0.935 0.477 0.00 0.00 +0.126 C ATOM 35 C LIG 1 -7.913 1.728 0.388 0.00 0.00 +0.134 C ATOM 36 F LIG 1 -7.857 3.017 0.810 0.00 0.00 -0.240 F ATOM 37 C LIG 1 -9.115 1.058 1.024 0.00 0.00 +0.050 C ATOM 38 C LIG 1 -7.766 1.519 -1.143 0.00 0.00 +0.126 C ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 3 23 TORSDOF 8