REMARK Name = BDB054879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.288 0.746 0.989 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.346 -0.177 1.468 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.982 0.204 1.718 0.00 0.00 -0.029 A ATOM 4 C LIG 1 1.363 1.530 1.481 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.432 2.454 1.009 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.887 2.063 0.764 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.657 0.966 0.208 0.00 0.00 +0.249 C ATOM 8 N LIG 1 -2.601 0.277 0.777 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -2.764 -0.696 1.003 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.630 2.089 -0.281 0.00 0.00 -0.270 OA BRANCH 7 19 ATOM 11 C LIG 1 -5.644 0.679 -2.312 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -5.716 0.168 -0.986 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -6.907 -0.555 -0.962 0.00 0.00 +0.068 A ATOM 14 C LIG 1 -7.369 -1.239 0.169 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -6.583 -1.175 1.323 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -5.383 -0.463 1.338 0.00 0.00 +0.014 A ATOM 17 N LIG 1 -7.436 -0.417 -2.217 0.00 0.00 -0.275 N ATOM 18 H LIG 1 -8.303 -0.804 -2.569 0.00 0.00 +0.189 HD ATOM 19 C LIG 1 -4.931 0.207 0.185 0.00 0.00 +0.049 A ATOM 20 N LIG 1 -6.692 0.324 -3.050 0.00 0.00 -0.158 NA BRANCH 11 21 ATOM 21 N LIG 1 -4.647 1.442 -2.785 0.00 0.00 -0.341 N ATOM 22 H LIG 1 -4.115 1.993 -2.104 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 -4.863 1.976 -3.619 0.00 0.00 +0.144 HD ENDBRANCH 11 21 ENDBRANCH 7 19 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 1.997 -0.802 2.198 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 N LIG 1 2.843 -1.242 1.107 0.00 0.00 -0.295 N ATOM 26 H LIG 1 2.358 -1.498 0.261 0.00 0.00 +0.151 HD ATOM 27 C LIG 1 4.103 -0.703 0.935 0.00 0.00 +0.304 C ATOM 28 N LIG 1 4.692 -1.202 -0.206 0.00 0.00 -0.269 N ATOM 29 H LIG 1 4.223 -1.989 -0.627 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 4.597 0.089 1.726 0.00 0.00 -0.252 OA BRANCH 28 31 ATOM 31 C LIG 1 5.939 -0.843 -0.757 0.00 0.00 +0.037 A ATOM 32 C LIG 1 6.731 0.201 -0.277 0.00 0.00 +0.061 A ATOM 33 C LIG 1 7.947 0.487 -0.894 0.00 0.00 +0.125 A ATOM 34 F LIG 1 8.702 1.491 -0.429 0.00 0.00 -0.205 F ATOM 35 C LIG 1 8.394 -0.247 -1.986 0.00 0.00 +0.038 A ATOM 36 C LIG 1 7.610 -1.287 -2.475 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.387 -1.582 -1.863 0.00 0.00 +0.023 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 6