REMARK Name = BDB028127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.329 0.758 2.863 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -3.561 1.099 1.617 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -2.862 2.326 1.520 0.00 0.00 +0.116 A ATOM 4 N LIG 1 -2.764 3.362 2.415 0.00 0.00 -0.129 NA ATOM 5 N LIG 1 -1.968 4.288 1.897 0.00 0.00 -0.065 NA ATOM 6 N LIG 1 -1.544 3.831 0.705 0.00 0.00 -0.244 N ATOM 7 C LIG 1 -0.556 4.572 -0.051 0.00 0.00 +0.146 C ATOM 8 C LIG 1 0.755 4.755 0.717 0.00 0.00 +0.023 C ATOM 9 C LIG 1 1.918 5.115 -0.210 0.00 0.00 +0.002 C ATOM 10 C LIG 1 2.614 3.892 -0.828 0.00 0.00 +0.000 C ATOM 11 C LIG 1 3.550 3.193 0.170 0.00 0.00 +0.005 C ATOM 12 C LIG 1 4.440 2.128 -0.483 0.00 0.00 +0.035 C ATOM 13 C LIG 1 3.814 0.750 -0.567 0.00 0.00 -0.044 A ATOM 14 C LIG 1 3.889 -0.190 0.487 0.00 0.00 -0.035 A ATOM 15 C LIG 1 3.362 -1.484 0.292 0.00 0.00 +0.017 A ATOM 16 C LIG 1 2.744 -1.833 -0.913 0.00 0.00 +0.037 A ATOM 17 C LIG 1 2.281 -3.221 -1.160 0.00 0.00 +0.247 C ATOM 18 N LIG 1 1.490 -3.863 -0.204 0.00 0.00 -0.293 N ATOM 19 C LIG 1 0.557 -3.148 0.662 0.00 0.00 +0.143 C ATOM 20 C LIG 1 -0.864 -3.244 0.145 0.00 0.00 -0.027 A ATOM 21 C LIG 1 -1.247 -4.245 -0.765 0.00 0.00 -0.041 A ATOM 22 C LIG 1 -2.567 -4.281 -1.228 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -3.502 -3.329 -0.804 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.140 -2.315 0.090 0.00 0.00 -0.039 A ATOM 25 C LIG 1 -4.095 -1.204 0.551 0.00 0.00 +0.060 C ATOM 26 C LIG 1 -0.230 -5.220 -1.317 0.00 0.00 +0.054 C ATOM 27 C LIG 1 -1.823 -2.324 0.594 0.00 0.00 +0.009 A ATOM 28 C LIG 1 1.065 -5.228 -0.499 0.00 0.00 +0.113 C ATOM 29 O LIG 1 2.646 -3.762 -2.203 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 2.657 -0.899 -1.945 0.00 0.00 +0.013 A ATOM 31 C LIG 1 3.180 0.383 -1.768 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -2.109 2.624 0.392 0.00 0.00 +0.089 A ATOM 33 C LIG 1 -2.024 1.783 -0.714 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -2.721 0.579 -0.630 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -3.459 0.201 0.516 0.00 0.00 -0.034 A ENDROOT BRANCH 14 36 ATOM 36 C LIG 1 4.566 0.108 1.811 0.00 0.00 +0.148 C BRANCH 36 37 ATOM 37 C LIG 1 6.004 -0.377 1.896 0.00 0.00 +0.394 C ATOM 38 F LIG 1 6.783 0.161 0.935 0.00 0.00 -0.170 F ATOM 39 F LIG 1 6.086 -1.722 1.805 0.00 0.00 -0.170 F ATOM 40 F LIG 1 6.539 -0.024 3.090 0.00 0.00 -0.170 F ENDBRANCH 36 37 ENDBRANCH 14 36 BRANCH 25 41 ATOM 41 C LIG 1 -5.529 -1.176 -0.016 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 -5.670 -0.765 -1.467 0.00 0.00 +0.306 C ATOM 43 O LIG 1 -4.863 -0.989 -2.356 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 -6.856 -0.165 -1.729 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 -7.428 -0.014 -0.954 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 25 41 TORSDOF 5