REMARK Name = BDB018614 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.662 -1.011 -0.554 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.057 -1.854 -1.589 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.205 -2.746 -2.113 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.348 -1.783 -2.100 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.263 -0.881 -1.552 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.897 -0.053 -0.477 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.583 -0.119 0.010 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 -3.517 1.050 0.839 0.00 0.00 +0.032 C ATOM 9 C LIG 1 -3.993 0.053 -0.221 0.00 0.00 +0.105 C ATOM 10 N LIG 1 -3.953 0.643 -1.553 0.00 0.00 -0.304 N ATOM 11 C LIG 1 -2.932 0.406 -2.445 0.00 0.00 +0.152 A ATOM 12 N LIG 1 -3.158 1.091 -3.543 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 -4.340 1.765 -3.377 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 -1.790 -0.514 -2.174 0.00 0.00 +0.184 C ATOM 15 N LIG 1 -1.809 -0.968 -0.780 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.688 -1.095 0.031 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.759 -1.245 1.250 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -4.836 1.492 -2.179 0.00 0.00 +0.184 A ATOM 19 C LIG 1 -3.133 -1.221 -0.208 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 -6.093 2.026 -1.660 0.00 0.00 +0.126 A ATOM 21 N LIG 1 -6.503 1.607 -0.436 0.00 0.00 -0.249 NA ATOM 22 C LIG 1 -7.673 2.130 0.004 0.00 0.00 +0.131 A ATOM 23 C LIG 1 -8.416 3.031 -0.739 0.00 0.00 +0.130 A ATOM 24 N LIG 1 -8.023 3.453 -1.959 0.00 0.00 -0.260 NA ATOM 25 C LIG 1 -6.849 2.931 -2.401 0.00 0.00 +0.142 A ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 26 ATOM 26 C LIG 1 3.892 0.910 0.131 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 5.190 0.239 0.564 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.245 -0.530 1.835 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.458 -1.137 2.157 0.00 0.00 +0.050 A ATOM 30 C LIG 1 6.594 -1.885 3.334 0.00 0.00 +0.014 A ATOM 31 C LIG 1 5.507 -2.024 4.194 0.00 0.00 +0.001 A ATOM 32 C LIG 1 4.291 -1.420 3.879 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.603 -0.986 1.245 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.686 -1.508 1.484 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 7.383 -0.230 0.120 0.00 0.00 -0.242 N ATOM 36 H LIG 1 8.162 -0.119 -0.523 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 4.157 -0.674 2.703 0.00 0.00 +0.010 A ATOM 38 N LIG 1 6.214 0.367 -0.230 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 4