REMARK Name = BDB035177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.113 -0.671 3.326 0.00 0.00 +0.094 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.568 0.677 3.418 0.00 0.00 +0.090 A ATOM 3 C LIG 1 -1.668 0.964 2.534 0.00 0.00 +0.178 A ATOM 4 N LIG 1 -2.250 2.204 2.586 0.00 0.00 -0.217 N ATOM 5 N LIG 1 -3.237 2.271 1.670 0.00 0.00 -0.145 NA ATOM 6 C LIG 1 -3.211 1.046 1.118 0.00 0.00 +0.189 A ATOM 7 C LIG 1 -1.787 3.140 3.491 0.00 0.00 +0.134 A ATOM 8 C LIG 1 -0.767 2.804 4.297 0.00 0.00 +0.131 A ATOM 9 N LIG 1 -2.242 0.207 1.630 0.00 0.00 -0.205 NA ATOM 10 N LIG 1 -0.137 1.571 4.273 0.00 0.00 -0.254 NA BRANCH 6 11 ATOM 11 C LIG 1 -4.071 0.642 0.028 0.00 0.00 +0.104 A ATOM 12 C LIG 1 -3.552 0.262 -1.208 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -4.372 -0.119 -2.223 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -5.690 -0.102 -1.992 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.283 0.240 -0.847 0.00 0.00 -0.201 NA ATOM 16 C LIG 1 -5.451 0.611 0.148 0.00 0.00 +0.229 A BRANCH 12 17 ATOM 17 C LIG 1 -2.060 0.238 -1.494 0.00 0.00 +0.039 C ATOM 18 C LIG 1 -1.530 0.730 -2.824 0.00 0.00 +0.010 C ATOM 19 C LIG 1 -1.279 1.532 -1.583 0.00 0.00 +0.010 C ENDBRANCH 12 17 BRANCH 16 20 ATOM 20 O LIG 1 -6.004 0.928 1.377 0.00 0.00 -0.479 OA ATOM 21 C LIG 1 -7.425 1.022 1.359 0.00 0.00 +0.279 C ENDBRANCH 16 20 ENDBRANCH 6 11 ENDBRANCH 1 2 BRANCH 1 26 ATOM 22 C LIG 1 2.792 -0.766 -0.087 0.00 0.00 +0.088 A ATOM 23 C LIG 1 3.170 -0.152 1.109 0.00 0.00 +0.137 A ATOM 24 F LIG 1 4.376 0.423 1.229 0.00 0.00 -0.205 F ATOM 25 C LIG 1 2.321 -0.134 2.217 0.00 0.00 +0.043 A ATOM 26 C LIG 1 1.061 -0.742 2.152 0.00 0.00 -0.036 A ATOM 27 C LIG 1 0.678 -1.366 0.960 0.00 0.00 +0.043 A ATOM 28 C LIG 1 1.536 -1.366 -0.141 0.00 0.00 +0.137 A ATOM 29 F LIG 1 1.117 -1.960 -1.270 0.00 0.00 -0.205 F BRANCH 22 31 ATOM 30 N LIG 1 4.260 -1.818 -1.857 0.00 0.00 -0.330 N ATOM 31 C LIG 1 3.672 -0.727 -1.250 0.00 0.00 +0.147 A ATOM 32 N LIG 1 4.044 0.382 -1.866 0.00 0.00 -0.223 NA ATOM 33 C LIG 1 4.882 0.011 -2.907 0.00 0.00 +0.162 A ATOM 34 C LIG 1 5.013 -1.365 -2.909 0.00 0.00 +0.120 A BRANCH 33 35 ATOM 35 C LIG 1 5.504 1.017 -3.834 0.00 0.00 +0.436 C ATOM 36 F LIG 1 6.188 1.987 -3.170 0.00 0.00 -0.164 F ATOM 37 F LIG 1 6.395 0.436 -4.686 0.00 0.00 -0.164 F ATOM 38 F LIG 1 4.581 1.641 -4.614 0.00 0.00 -0.164 F ENDBRANCH 33 35 BRANCH 30 40 ATOM 39 C LIG 1 5.111 -3.559 -0.325 0.00 0.00 +0.027 C ATOM 40 C LIG 1 4.163 -3.211 -1.460 0.00 0.00 +0.120 C ENDBRANCH 30 40 ENDBRANCH 22 31 ENDBRANCH 1 26 TORSDOF 8