REMARK Name = BDB027461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.145 1.298 0.960 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.102 0.909 1.472 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.218 1.740 1.247 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.088 2.911 0.501 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.894 3.289 -0.007 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 0.173 2.488 0.225 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.216 3.823 0.221 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.996 5.209 0.089 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.050 6.081 -0.174 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -3.804 7.394 -0.285 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.342 5.598 -0.317 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.355 6.437 -0.568 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.595 4.238 -0.202 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.539 3.357 0.062 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.844 -1.182 0.271 0.00 0.00 +0.058 C ATOM 16 C LIG 1 1.749 -0.154 -0.062 0.00 0.00 +0.115 C ATOM 17 N LIG 1 1.288 0.501 1.194 0.00 0.00 -0.328 N ATOM 18 C LIG 1 2.377 1.240 1.865 0.00 0.00 +0.105 C ATOM 19 C LIG 1 3.495 0.263 2.234 0.00 0.00 +0.020 C ATOM 20 C LIG 1 4.007 -0.492 1.004 0.00 0.00 +0.013 C BRANCH 15 24 ATOM 21 C LIG 1 4.859 -2.244 -4.021 0.00 0.00 +0.197 C ATOM 22 N LIG 1 4.118 -2.391 -2.794 0.00 0.00 -0.186 N ATOM 23 N LIG 1 3.987 -1.364 -1.928 0.00 0.00 -0.157 NA ATOM 24 C LIG 1 3.276 -1.932 -0.943 0.00 0.00 +0.087 A ATOM 25 C LIG 1 3.013 -3.276 -1.275 0.00 0.00 +0.159 A ATOM 26 N LIG 1 3.562 -3.571 -2.456 0.00 0.00 -0.161 NA ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 27 ATOM 27 C LIG 1 -1.281 -0.345 2.296 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 N LIG 1 -1.016 -1.576 1.564 0.00 0.00 -0.325 N ATOM 29 C LIG 1 -1.655 -2.051 0.442 0.00 0.00 +0.074 A ATOM 30 C LIG 1 -1.026 -3.269 0.177 0.00 0.00 +0.128 A ATOM 31 C LIG 1 -1.436 -4.034 -0.941 0.00 0.00 +0.144 A ATOM 32 N LIG 1 -2.416 -3.555 -1.745 0.00 0.00 -0.238 NA ATOM 33 C LIG 1 -3.001 -2.372 -1.447 0.00 0.00 +0.115 A ATOM 34 N LIG 1 -0.040 -3.525 1.112 0.00 0.00 -0.232 NA ATOM 35 C LIG 1 -2.680 -1.564 -0.365 0.00 0.00 +0.048 A ATOM 36 C LIG 1 -0.090 -2.511 1.946 0.00 0.00 +0.200 A BRANCH 31 37 ATOM 37 N LIG 1 -0.864 -5.254 -1.276 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -0.983 -5.454 -2.260 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 0.059 -5.382 -0.879 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 6