REMARK Name = BDB010945 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.226 -1.274 0.049 0.00 0.00 -0.239 N ATOM 2 N LIG 1 -0.819 -2.133 -0.106 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 -1.889 -1.510 0.406 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -1.504 -0.218 0.896 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.323 0.739 1.501 0.00 0.00 +0.066 A ATOM 6 C LIG 1 -3.658 0.256 1.574 0.00 0.00 +0.018 A ATOM 7 C LIG 1 -4.102 -1.030 1.098 0.00 0.00 -0.031 A ATOM 8 C LIG 1 -3.216 -1.958 0.498 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.163 -0.095 0.653 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 3.925 -1.112 -0.694 0.00 0.00 -0.032 A ATOM 11 C LIG 1 2.623 -0.770 -0.253 0.00 0.00 +0.032 A ATOM 12 C LIG 1 1.530 -1.640 -0.396 0.00 0.00 +0.066 A ATOM 13 C LIG 1 1.728 -2.890 -0.991 0.00 0.00 +0.028 A ATOM 14 C LIG 1 2.995 -3.260 -1.432 0.00 0.00 +0.002 A ATOM 15 C LIG 1 4.072 -2.383 -1.284 0.00 0.00 +0.005 A BRANCH 10 18 ATOM 16 C LIG 1 6.998 0.343 0.538 0.00 0.00 +0.017 C ATOM 17 C LIG 1 5.512 0.282 0.963 0.00 0.00 +0.025 C ATOM 18 C LIG 1 5.143 -0.079 -0.523 0.00 0.00 +0.056 C ATOM 19 C LIG 1 6.621 -0.595 -0.637 0.00 0.00 +0.025 C BRANCH 18 20 ATOM 20 C LIG 1 4.890 1.202 -1.432 0.00 0.00 +0.144 A ATOM 21 N LIG 1 4.715 1.244 -2.789 0.00 0.00 -0.320 N ATOM 22 C LIG 1 4.714 0.150 -3.720 0.00 0.00 +0.151 C ATOM 23 C LIG 1 4.521 2.554 -3.103 0.00 0.00 +0.224 A ATOM 24 N LIG 1 4.576 3.280 -2.011 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 4.802 2.428 -0.957 0.00 0.00 -0.134 NA ENDBRANCH 18 20 BRANCH 16 26 ATOM 26 C LIG 1 8.020 -0.202 1.523 0.00 0.00 +0.163 C BRANCH 26 28 ATOM 27 C LIG 1 8.703 1.764 2.674 0.00 0.00 +0.193 C ATOM 28 O LIG 1 7.983 0.541 2.742 0.00 0.00 -0.383 OA ENDBRANCH 26 28 ENDBRANCH 16 26 ENDBRANCH 10 18 ENDBRANCH 1 12 BRANCH 5 29 ATOM 29 C LIG 1 -1.923 2.091 1.997 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.918 2.743 2.661 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.539 2.925 0.992 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.873 2.044 2.865 0.00 0.00 -0.166 F ENDBRANCH 5 29 BRANCH 7 33 ATOM 33 C LIG 1 -5.569 -1.403 1.252 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -6.468 -0.469 0.560 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -7.865 -0.685 0.941 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -8.743 0.487 0.453 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -8.740 1.648 1.451 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -8.319 0.990 -0.940 0.00 0.00 +0.006 C ATOM 39 C LIG 1 -7.541 -0.080 -1.692 0.00 0.00 +0.016 C ATOM 40 C LIG 1 -6.298 -0.519 -0.904 0.00 0.00 +0.085 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 8