REMARK Name = BDB022405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.842 0.410 2.095 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.489 0.318 1.720 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.591 -0.532 2.390 0.00 0.00 -0.018 A ATOM 4 C LIG 1 1.079 -1.301 3.456 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.420 -1.229 3.836 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.295 -0.381 3.159 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.821 -0.615 1.982 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.175 -0.911 0.659 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -2.516 -0.986 0.291 0.00 0.00 +0.145 A ATOM 10 F LIG 1 -2.821 -1.273 -0.986 0.00 0.00 -0.204 F ATOM 11 C LIG 1 -3.548 -0.774 1.212 0.00 0.00 +0.069 A ATOM 12 C LIG 1 -3.206 -0.476 2.529 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.857 -0.400 2.907 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 -4.871 -0.871 0.731 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -4.945 -1.100 -0.253 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -6.034 -0.746 1.450 0.00 0.00 +0.241 C ATOM 17 O LIG 1 -6.145 -0.583 2.660 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 -7.278 -0.895 0.645 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -7.420 -0.528 -0.639 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -8.709 -0.650 -1.399 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 -9.098 0.629 -2.006 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -9.549 1.591 -0.995 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -10.165 0.414 -2.988 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 4.437 2.368 2.287 0.00 0.00 +0.022 C ATOM 25 C LIG 1 3.772 1.356 1.349 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 4.847 0.639 0.517 0.00 0.00 +0.225 C ATOM 27 N LIG 1 5.296 1.416 -0.533 0.00 0.00 -0.268 N ATOM 28 H LIG 1 4.922 2.338 -0.702 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 5.269 -0.481 0.792 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 6.259 1.055 -1.442 0.00 0.00 +0.147 A ATOM 31 N LIG 1 6.582 1.927 -2.402 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 7.529 1.292 -3.113 0.00 0.00 -0.280 N ATOM 33 H LIG 1 7.936 1.767 -3.911 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 7.819 0.047 -2.639 0.00 0.00 +0.041 A ATOM 35 C LIG 1 7.006 -0.138 -1.548 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 8.863 -0.926 -3.244 0.00 0.00 +0.037 C ATOM 37 C LIG 1 9.650 -1.831 -2.335 0.00 0.00 +0.010 C ATOM 38 C LIG 1 8.591 -2.406 -3.233 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9