REMARK Name = BDB024041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.711 -1.113 -0.028 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.617 -1.388 -1.387 0.00 0.00 +0.134 A ATOM 3 F LIG 1 -0.509 -1.104 -2.053 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.673 -1.962 -2.087 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.860 -2.269 -1.423 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.994 -1.999 -0.055 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.908 -1.435 0.632 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 -3.652 0.219 0.057 0.00 0.00 -0.301 NA ATOM 9 C LIG 1 -3.065 -1.115 -0.134 0.00 0.00 +0.092 C ATOM 10 C LIG 1 -2.040 -1.482 0.928 0.00 0.00 +0.089 C ATOM 11 P LIG 1 -0.612 -0.386 0.884 0.00 0.00 +0.122 P ATOM 12 O LIG 1 -0.231 0.004 2.296 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 -1.277 1.053 0.027 0.00 0.00 +0.089 C ATOM 14 C LIG 1 -2.715 1.279 0.467 0.00 0.00 +0.092 C BRANCH 8 15 ATOM 15 C LIG 1 -4.481 0.589 -1.101 0.00 0.00 +0.084 C BRANCH 15 16 ATOM 16 C LIG 1 -5.538 1.667 -0.799 0.00 0.00 +0.018 C BRANCH 16 18 ATOM 17 C LIG 1 -7.271 0.070 0.181 0.00 0.00 +0.007 C ATOM 18 C LIG 1 -6.474 1.358 0.387 0.00 0.00 -0.016 C ATOM 19 C LIG 1 -7.434 2.531 0.606 0.00 0.00 +0.007 C ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 20 ATOM 20 C LIG 1 4.274 -2.335 0.676 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 5.500 -1.663 0.070 0.00 0.00 +0.074 A ATOM 22 C LIG 1 5.800 -0.240 0.376 0.00 0.00 +0.011 A ATOM 23 C LIG 1 6.923 0.317 -0.234 0.00 0.00 +0.050 A ATOM 24 C LIG 1 7.274 1.653 -0.002 0.00 0.00 +0.014 A ATOM 25 C LIG 1 6.495 2.436 0.848 0.00 0.00 +0.001 A ATOM 26 C LIG 1 5.372 1.885 1.463 0.00 0.00 +0.001 A ATOM 27 C LIG 1 7.745 -0.516 -1.126 0.00 0.00 +0.272 A ATOM 28 O LIG 1 8.740 -0.068 -1.684 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 7.332 -1.815 -1.291 0.00 0.00 -0.242 N ATOM 30 H LIG 1 7.889 -2.405 -1.901 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 5.023 0.551 1.230 0.00 0.00 +0.010 A ATOM 32 N LIG 1 6.239 -2.388 -0.721 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 6