REMARK Name = BDB059867 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.760 0.733 -1.286 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.334 1.236 -0.566 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.611 0.655 -0.670 0.00 0.00 -0.027 A ATOM 4 C LIG 1 2.752 1.253 0.128 0.00 0.00 +0.143 C ATOM 5 N LIG 1 3.996 0.494 0.049 0.00 0.00 -0.293 N ATOM 6 C LIG 1 4.275 -0.129 -1.244 0.00 0.00 +0.113 C ATOM 7 C LIG 1 3.157 -1.094 -1.632 0.00 0.00 +0.054 C ATOM 8 C LIG 1 4.949 0.742 1.032 0.00 0.00 +0.252 C ATOM 9 O LIG 1 4.772 1.504 1.980 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.803 -0.443 -1.524 0.00 0.00 -0.041 A ATOM 11 C LIG 1 0.716 -0.965 -2.231 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -0.547 -0.382 -2.115 0.00 0.00 +0.004 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 6.235 0.047 0.968 0.00 0.00 +0.107 A ATOM 14 C LIG 1 6.312 -1.318 1.230 0.00 0.00 +0.138 A ATOM 15 F LIG 1 5.208 -2.031 1.493 0.00 0.00 -0.205 F ATOM 16 C LIG 1 7.543 -1.973 1.210 0.00 0.00 +0.039 A ATOM 17 C LIG 1 8.708 -1.254 0.934 0.00 0.00 +0.006 A ATOM 18 C LIG 1 8.634 0.117 0.680 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.398 0.762 0.703 0.00 0.00 +0.138 A ATOM 20 F LIG 1 7.353 2.075 0.436 0.00 0.00 -0.205 F ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 C LIG 1 -2.172 1.316 -1.196 0.00 0.00 +0.060 C BRANCH 21 26 ATOM 22 N LIG 1 -5.804 -2.069 1.497 0.00 0.00 -0.244 N ATOM 23 C LIG 1 -4.779 -1.264 1.077 0.00 0.00 +0.089 A ATOM 24 C LIG 1 -5.155 -0.925 -0.216 0.00 0.00 +0.116 A ATOM 25 C LIG 1 -4.338 -0.086 -1.009 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.126 0.385 -0.428 0.00 0.00 -0.034 A ATOM 27 C LIG 1 -2.792 0.018 0.895 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -4.749 0.273 -2.409 0.00 0.00 +0.046 C ATOM 29 N LIG 1 -6.359 -1.517 -0.508 0.00 0.00 -0.129 NA ATOM 30 C LIG 1 -3.604 -0.812 1.673 0.00 0.00 +0.030 A ATOM 31 N LIG 1 -6.749 -2.214 0.550 0.00 0.00 -0.065 NA BRANCH 22 33 ATOM 32 C LIG 1 -6.697 -1.876 3.781 0.00 0.00 +0.029 C ATOM 33 C LIG 1 -5.955 -2.734 2.772 0.00 0.00 +0.142 C ENDBRANCH 22 33 ENDBRANCH 21 26 BRANCH 21 34 ATOM 34 C LIG 1 -2.315 2.738 -0.625 0.00 0.00 +0.133 C BRANCH 34 35 ATOM 35 C LIG 1 -1.716 3.771 -1.543 0.00 0.00 +0.306 C ATOM 36 O LIG 1 -0.617 4.276 -1.378 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 -2.519 4.107 -2.577 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 -3.390 3.669 -2.579 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 21 34 ENDBRANCH 1 21 TORSDOF 7