REMARK Name = BDB032358 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.071 -2.029 -0.379 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.763 -2.912 0.656 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -0.560 -3.062 1.108 0.00 0.00 +0.018 A ATOM 4 C LIG 1 -1.558 -2.269 0.522 0.00 0.00 +0.127 A ATOM 5 N LIG 1 -1.278 -1.454 -0.517 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 0.006 -1.347 -0.939 0.00 0.00 +0.118 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -2.882 -2.314 0.992 0.00 0.00 -0.306 N ATOM 8 C LIG 1 -3.045 -1.608 2.289 0.00 0.00 +0.182 C ATOM 9 C LIG 1 -3.545 -0.207 2.191 0.00 0.00 +0.151 A ATOM 10 N LIG 1 -3.662 0.701 3.134 0.00 0.00 -0.132 NA ATOM 11 N LIG 1 -4.188 1.836 2.558 0.00 0.00 -0.125 NA ATOM 12 C LIG 1 -4.382 1.601 1.272 0.00 0.00 +0.238 A ATOM 13 N LIG 1 -4.006 0.311 1.015 0.00 0.00 -0.305 N ATOM 14 C LIG 1 -4.036 -0.418 -0.233 0.00 0.00 +0.144 C ATOM 15 C LIG 1 -3.901 -1.934 -0.012 0.00 0.00 +0.128 C BRANCH 12 16 ATOM 16 C LIG 1 -4.920 2.514 0.237 0.00 0.00 +0.452 C ATOM 17 F LIG 1 -5.109 3.783 0.674 0.00 0.00 -0.163 F ATOM 18 F LIG 1 -4.101 2.587 -0.847 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -6.121 2.075 -0.230 0.00 0.00 -0.163 F ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 2.484 -1.904 -0.883 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.745 -0.652 -1.590 0.00 0.00 -0.339 N ATOM 22 H LIG 1 3.441 -0.789 -2.320 0.00 0.00 +0.146 HD BRANCH 21 26 ATOM 23 C LIG 1 4.082 4.044 -1.739 0.00 0.00 +0.124 A ATOM 24 C LIG 1 3.668 2.931 -0.973 0.00 0.00 +0.023 A ATOM 25 C LIG 1 3.399 1.715 -1.649 0.00 0.00 +0.008 A ATOM 26 C LIG 1 3.017 0.552 -0.903 0.00 0.00 +0.035 A ATOM 27 C LIG 1 2.824 0.679 0.481 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.068 1.881 1.141 0.00 0.00 +0.003 A ATOM 29 C LIG 1 3.512 1.726 -3.053 0.00 0.00 +0.030 A ATOM 30 C LIG 1 3.901 2.882 -3.705 0.00 0.00 +0.113 A ATOM 31 C LIG 1 3.496 2.991 0.424 0.00 0.00 +0.012 A ATOM 32 N LIG 1 4.200 4.032 -3.078 0.00 0.00 -0.240 NA BRANCH 23 33 ATOM 33 N LIG 1 4.400 5.273 -1.148 0.00 0.00 -0.343 N ATOM 34 H LIG 1 4.695 5.881 -1.909 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 5.136 5.157 -0.462 0.00 0.00 +0.144 HD ENDBRANCH 23 33 ENDBRANCH 21 26 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 3 36 ATOM 36 C LIG 1 -0.854 -4.046 2.210 0.00 0.00 +0.194 C BRANCH 36 37 ATOM 37 O LIG 1 -0.102 -5.246 2.036 0.00 0.00 -0.390 OA ATOM 38 H LIG 1 -0.327 -5.582 1.151 0.00 0.00 +0.210 HD ENDBRANCH 36 37 ENDBRANCH 3 36 TORSDOF 8