REMARK Name = BDB055924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.370 0.379 -0.126 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.606 -0.781 -0.017 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.218 -0.739 -0.204 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.433 0.455 -0.531 0.00 0.00 +0.031 A ATOM 5 C LIG 1 0.333 1.622 -0.605 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.721 1.583 -0.418 0.00 0.00 +0.025 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 4.274 -1.766 0.676 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 4.605 -0.623 0.390 0.00 0.00 +0.248 C ATOM 9 N LIG 1 3.771 0.424 0.041 0.00 0.00 -0.282 N ATOM 10 H LIG 1 4.188 1.341 -0.049 0.00 0.00 +0.155 HD BRANCH 8 11 ATOM 11 C LIG 1 6.055 -0.283 0.448 0.00 0.00 +0.040 A ATOM 12 C LIG 1 6.637 0.622 -0.448 0.00 0.00 +0.054 A ATOM 13 C LIG 1 7.999 0.894 -0.353 0.00 0.00 +0.159 A ATOM 14 F LIG 1 8.550 1.764 -1.210 0.00 0.00 -0.202 F ATOM 15 C LIG 1 8.783 0.273 0.613 0.00 0.00 +0.158 A ATOM 16 F LIG 1 10.092 0.545 0.696 0.00 0.00 -0.202 F ATOM 17 C LIG 1 8.219 -0.640 1.497 0.00 0.00 +0.042 A ATOM 18 C LIG 1 6.853 -0.923 1.411 0.00 0.00 +0.016 A ENDBRANCH 8 11 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 N LIG 1 -1.837 0.529 -0.671 0.00 0.00 -0.314 N ATOM 20 H LIG 1 -2.133 1.435 -1.031 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.720 -0.472 -1.167 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -4.062 -0.562 -0.722 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -4.877 -1.444 -1.454 0.00 0.00 +0.143 A ATOM 24 N LIG 1 -6.239 -1.518 -1.190 0.00 0.00 -0.306 N ATOM 25 H LIG 1 -6.780 -2.133 -1.780 0.00 0.00 +0.170 HD ATOM 26 C LIG 1 -6.901 -0.764 -0.266 0.00 0.00 +0.258 A ATOM 27 C LIG 1 -6.076 0.111 0.604 0.00 0.00 +0.047 A ATOM 28 C LIG 1 -6.724 0.809 1.637 0.00 0.00 +0.014 A ATOM 29 C LIG 1 -5.984 1.572 2.532 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -4.603 1.617 2.406 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.962 0.922 1.371 0.00 0.00 +0.009 A ATOM 32 O LIG 1 -8.120 -0.823 -0.145 0.00 0.00 -0.267 OA ATOM 33 N LIG 1 -4.474 -2.231 -2.474 0.00 0.00 -0.237 NA ATOM 34 C LIG 1 -3.188 -2.136 -2.840 0.00 0.00 +0.115 A ATOM 35 C LIG 1 -4.679 0.178 0.415 0.00 0.00 -0.000 A ATOM 36 C LIG 1 -2.296 -1.270 -2.244 0.00 0.00 +0.043 A ENDBRANCH 19 21 ENDBRANCH 4 19 TORSDOF 4