REMARK Name = BDB027457 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.054 0.224 1.162 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.167 0.886 1.370 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.160 2.278 1.233 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.923 3.027 0.925 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.098 2.384 0.736 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.195 0.998 0.869 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.254 3.242 0.397 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.304 2.791 -0.429 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.391 3.617 -0.738 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.439 4.907 -0.228 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -6.479 5.697 -0.524 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -4.420 5.389 0.580 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.336 4.562 0.886 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 1.323 0.152 1.689 0.00 0.00 -0.328 N ATOM 15 C LIG 1 2.224 0.004 0.521 0.00 0.00 +0.115 C ATOM 16 C LIG 1 3.532 -0.689 0.937 0.00 0.00 +0.057 C ATOM 17 C LIG 1 4.277 0.140 2.002 0.00 0.00 +0.013 C ATOM 18 C LIG 1 3.361 1.111 2.751 0.00 0.00 +0.020 C ATOM 19 C LIG 1 1.966 0.531 2.964 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 4.398 -0.999 -0.251 0.00 0.00 +0.068 A ATOM 21 N LIG 1 4.707 -2.271 -0.540 0.00 0.00 -0.171 NA ATOM 22 N LIG 1 5.483 -2.183 -1.649 0.00 0.00 -0.211 N ATOM 23 C LIG 1 5.661 -0.891 -2.069 0.00 0.00 +0.114 A ATOM 24 C LIG 1 4.971 -0.100 -1.183 0.00 0.00 +0.045 A BRANCH 22 25 ATOM 25 C LIG 1 6.035 -3.377 -2.280 0.00 0.00 +0.464 C ATOM 26 F LIG 1 5.596 -3.498 -3.563 0.00 0.00 -0.183 F ATOM 27 F LIG 1 7.394 -3.314 -2.342 0.00 0.00 -0.183 F ENDBRANCH 22 25 ENDBRANCH 16 20 ENDBRANCH 2 14 BRANCH 1 28 ATOM 28 C LIG 1 -1.137 -1.277 1.343 0.00 0.00 +0.160 C BRANCH 28 33 ATOM 29 C LIG 1 -3.731 -3.009 -2.432 0.00 0.00 +0.144 A ATOM 30 C LIG 1 -3.389 -2.707 -1.093 0.00 0.00 +0.128 A ATOM 31 N LIG 1 -4.078 -2.958 0.080 0.00 0.00 -0.232 NA ATOM 32 C LIG 1 -3.318 -2.474 1.036 0.00 0.00 +0.200 A ATOM 33 N LIG 1 -2.176 -1.908 0.539 0.00 0.00 -0.325 N ATOM 34 C LIG 1 -2.180 -2.067 -0.826 0.00 0.00 +0.074 A ATOM 35 C LIG 1 -1.288 -1.717 -1.836 0.00 0.00 +0.048 A ATOM 36 C LIG 1 -1.700 -2.068 -3.115 0.00 0.00 +0.115 A ATOM 37 N LIG 1 -2.862 -2.692 -3.423 0.00 0.00 -0.238 NA BRANCH 29 38 ATOM 38 N LIG 1 -4.916 -3.644 -2.784 0.00 0.00 -0.341 N ATOM 39 H LIG 1 -5.320 -4.163 -2.013 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -4.823 -4.116 -3.674 0.00 0.00 +0.144 HD ENDBRANCH 29 38 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 7