REMARK Name = BDB049674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.645 -0.150 -0.116 0.00 0.00 -0.278 N ATOM 2 C LIG 1 1.725 -0.995 0.194 0.00 0.00 +0.307 C ATOM 3 N LIG 1 2.912 -0.331 0.427 0.00 0.00 -0.269 N ATOM 4 H LIG 1 2.974 0.591 0.021 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 1.602 -2.216 0.231 0.00 0.00 -0.252 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 4.125 -0.879 0.890 0.00 0.00 +0.038 A ATOM 7 C LIG 1 5.264 -0.062 0.816 0.00 0.00 +0.036 A ATOM 8 C LIG 1 6.519 -0.518 1.260 0.00 0.00 +0.059 A ATOM 9 C LIG 1 6.614 -1.803 1.805 0.00 0.00 +0.050 A ATOM 10 C LIG 1 5.481 -2.604 1.886 0.00 0.00 +0.126 A ATOM 11 F LIG 1 5.586 -3.829 2.417 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.243 -2.156 1.436 0.00 0.00 +0.061 A BRANCH 8 13 ATOM 13 C LIG 1 7.729 0.376 1.190 0.00 0.00 +0.418 C ATOM 14 F LIG 1 7.884 1.122 2.317 0.00 0.00 -0.166 F ATOM 15 F LIG 1 8.894 -0.310 1.030 0.00 0.00 -0.166 F ATOM 16 F LIG 1 7.676 1.265 0.159 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 3 6 BRANCH 1 20 ATOM 17 N LIG 1 -3.313 -1.631 -0.656 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 -2.780 -0.843 -1.775 0.00 0.00 +0.086 C ATOM 19 C LIG 1 -1.522 -0.038 -1.422 0.00 0.00 +0.038 C ATOM 20 C LIG 1 -0.644 -0.810 -0.431 0.00 0.00 +0.080 C ATOM 21 C LIG 1 -1.429 -1.166 0.847 0.00 0.00 +0.038 C ATOM 22 C LIG 1 -2.946 -1.100 0.651 0.00 0.00 +0.086 C BRANCH 17 23 ATOM 23 C LIG 1 -4.747 -1.928 -0.807 0.00 0.00 +0.158 C BRANCH 23 26 ATOM 24 C LIG 1 -6.751 -1.813 1.540 0.00 0.00 +0.150 C ATOM 25 N LIG 1 -6.560 -0.771 0.561 0.00 0.00 -0.336 N ATOM 26 C LIG 1 -5.682 -0.786 -0.502 0.00 0.00 +0.124 A ATOM 27 N LIG 1 -5.802 0.330 -1.202 0.00 0.00 -0.239 NA ATOM 28 C LIG 1 -6.760 1.076 -0.571 0.00 0.00 +0.130 A ATOM 29 C LIG 1 -7.244 0.412 0.528 0.00 0.00 +0.106 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 1 30 ATOM 30 C LIG 1 0.611 1.248 0.335 0.00 0.00 +0.144 C BRANCH 30 31 ATOM 31 C LIG 1 1.302 2.235 -0.583 0.00 0.00 -0.030 A ATOM 32 C LIG 1 1.565 1.962 -1.934 0.00 0.00 +0.005 A ATOM 33 C LIG 1 2.205 2.906 -2.740 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.583 4.137 -2.211 0.00 0.00 +0.000 A ATOM 35 C LIG 1 2.319 4.428 -0.875 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.679 3.486 -0.068 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 7