REMARK Name = BDB037886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.721 -1.047 0.131 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.975 -1.872 0.902 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.628 -1.830 0.758 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.061 -0.992 -0.120 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.721 -0.131 -0.904 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.122 -0.165 -0.768 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.990 -1.337 0.775 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.077 -1.585 1.803 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.516 -1.919 3.026 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.701 -1.493 1.594 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.179 -1.140 0.336 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.113 -0.903 -0.686 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.699 -0.590 -1.924 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.495 -0.996 -0.480 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 9.265 -1.222 0.078 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.311 -1.459 1.106 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.462 -0.983 -0.245 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.137 -0.389 0.939 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.695 -0.588 0.933 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.160 -0.874 -0.519 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.449 -2.067 -1.172 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.011 -2.265 -0.690 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.066 -1.756 1.772 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.632 -2.610 1.430 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -5.074 -1.914 1.725 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.417 0.692 1.483 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -3.965 1.131 2.884 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -4.343 0.242 3.831 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -4.617 2.293 3.185 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -4.264 1.778 0.550 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.498 2.607 1.014 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.095 0.832 -1.888 0.00 0.00 +0.162 C BRANCH 32 33 ATOM 33 N LIG 1 -0.518 1.985 -1.255 0.00 0.00 -0.309 N ATOM 34 C LIG 1 -1.656 2.607 -1.689 0.00 0.00 +0.180 A ATOM 35 C LIG 1 -1.862 3.636 -0.772 0.00 0.00 +0.197 A ATOM 36 N LIG 1 -2.925 4.476 -0.858 0.00 0.00 -0.232 NA ATOM 37 C LIG 1 -3.724 4.185 -1.914 0.00 0.00 +0.133 A ATOM 38 C LIG 1 -3.488 3.153 -2.820 0.00 0.00 +0.133 A ATOM 39 N LIG 1 -0.872 3.671 0.170 0.00 0.00 -0.215 NA ATOM 40 N LIG 1 -2.427 2.309 -2.759 0.00 0.00 -0.233 NA ATOM 41 C LIG 1 -0.066 2.682 -0.162 0.00 0.00 +0.203 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9