REMARK Name = BDB037330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.106 -2.751 0.807 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.108 -1.841 1.168 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.920 -0.481 1.317 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -2.074 -0.020 1.992 0.00 0.00 +0.073 A ATOM 5 N LIG 1 -2.957 -1.014 2.164 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.344 0.200 0.935 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.508 -0.800 1.036 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.468 -2.036 1.404 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.171 -2.228 0.527 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.057 -2.912 -0.001 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.113 0.798 -0.451 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.311 2.183 -0.624 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.118 2.790 -1.866 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.256 2.017 -2.954 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.441 2.595 -4.148 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.436 0.647 -2.823 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.249 0.038 -1.579 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.384 -2.962 0.835 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.129 -3.558 -0.408 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.063 -4.433 -0.968 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.258 -4.701 -0.303 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.532 -4.085 0.917 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.604 -3.207 1.482 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.747 -0.349 0.396 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.219 -1.038 -0.183 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.434 0.748 0.858 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.040 1.433 1.795 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.718 1.064 0.175 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.953 0.713 -1.162 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.172 1.042 -1.781 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.153 1.718 -1.038 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.915 2.080 0.288 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.699 1.760 0.891 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 6.429 0.645 -3.215 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.861 -0.641 -3.322 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.375 1.411 -3.826 0.00 0.00 -0.166 F ATOM 37 F LIG 1 5.317 0.732 -3.996 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.474 -4.762 2.129 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.209 -4.209 0.883 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.370 1.346 2.531 0.00 0.00 +0.085 C BRANCH 40 41 ATOM 41 C LIG 1 -2.816 2.292 1.450 0.00 0.00 -0.016 C ATOM 42 C LIG 1 -2.295 3.518 1.283 0.00 0.00 +0.063 C BRANCH 42 43 ATOM 43 C LIG 1 -2.639 4.455 0.182 0.00 0.00 +0.236 C ATOM 44 N LIG 1 -3.892 4.313 -0.350 0.00 0.00 -0.315 N ATOM 45 H LIG 1 -4.560 3.712 0.111 0.00 0.00 +0.149 HD ATOM 46 C LIG 1 -4.373 5.218 -1.362 0.00 0.00 +0.128 C ATOM 47 O LIG 1 -1.832 5.313 -0.157 0.00 0.00 -0.271 OA ENDBRANCH 42 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9