REMARK Name = BDB050734 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.776 0.221 2.697 0.00 0.00 +0.075 A ATOM 2 C LIG 1 1.141 1.496 3.113 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.215 2.428 3.380 0.00 0.00 -0.202 F ATOM 4 C LIG 1 2.488 1.811 3.240 0.00 0.00 +0.159 A ATOM 5 F LIG 1 2.857 3.043 3.622 0.00 0.00 -0.202 F ATOM 6 C LIG 1 3.476 0.865 2.966 0.00 0.00 +0.045 A ATOM 7 C LIG 1 3.120 -0.428 2.552 0.00 0.00 -0.038 A ATOM 8 C LIG 1 1.756 -0.749 2.440 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -1.025 -1.084 3.300 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.641 -0.158 2.588 0.00 0.00 +0.250 C ATOM 11 N LIG 1 -1.465 0.517 1.687 0.00 0.00 -0.294 N ATOM 12 C LIG 1 -0.954 1.266 0.526 0.00 0.00 +0.127 C ATOM 13 C LIG 1 -1.969 2.294 -0.007 0.00 0.00 +0.125 C ATOM 14 N LIG 1 -3.303 1.696 -0.240 0.00 0.00 -0.311 N ATOM 15 C LIG 1 -3.814 1.038 0.985 0.00 0.00 +0.125 C ATOM 16 C LIG 1 -2.824 -0.012 1.519 0.00 0.00 +0.127 C BRANCH 14 17 ATOM 17 C LIG 1 -3.508 1.051 -1.438 0.00 0.00 +0.138 A ATOM 18 C LIG 1 -4.846 0.861 -1.985 0.00 0.00 +0.031 A ATOM 19 C LIG 1 -4.778 0.156 -3.190 0.00 0.00 +0.041 A ATOM 20 C LIG 1 -5.922 -0.189 -3.932 0.00 0.00 +0.017 A ATOM 21 C LIG 1 -7.172 0.207 -3.451 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.278 0.932 -2.271 0.00 0.00 +0.001 A ATOM 23 S LIG 1 -3.128 -0.156 -3.530 0.00 0.00 +0.014 S ATOM 24 C LIG 1 -6.132 1.266 -1.538 0.00 0.00 +0.012 A ATOM 25 N LIG 1 -2.514 0.595 -2.201 0.00 0.00 -0.194 NA ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 26 ATOM 26 C LIG 1 4.181 -1.470 2.271 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.055 -2.088 0.883 0.00 0.00 +0.074 A ATOM 28 C LIG 1 4.588 -1.371 -0.305 0.00 0.00 +0.011 A ATOM 29 C LIG 1 4.413 -1.982 -1.545 0.00 0.00 +0.050 A ATOM 30 C LIG 1 4.877 -1.368 -2.717 0.00 0.00 +0.014 A ATOM 31 C LIG 1 5.523 -0.134 -2.645 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.705 0.480 -1.407 0.00 0.00 +0.001 A ATOM 33 C LIG 1 3.732 -3.285 -1.617 0.00 0.00 +0.272 A ATOM 34 O LIG 1 3.562 -3.860 -2.686 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 3.308 -3.811 -0.421 0.00 0.00 -0.242 N ATOM 36 H LIG 1 2.830 -4.706 -0.452 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 5.241 -0.134 -0.238 0.00 0.00 +0.010 A ATOM 38 N LIG 1 3.454 -3.239 0.803 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 7 26 TORSDOF 4