REMARK Name = BDB026030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.133 -1.011 0.617 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.240 -0.000 0.187 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.133 -0.258 0.076 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.667 -1.519 0.392 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.768 -2.503 0.830 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.197 -3.727 1.175 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.604 -2.261 0.939 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.984 -3.422 -0.418 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.428 -1.955 -0.493 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.369 -1.690 0.627 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.591 -1.047 0.135 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.755 -0.901 1.728 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.451 -1.236 3.052 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.231 -1.155 1.886 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.515 -0.725 0.670 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.217 -0.989 -0.610 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.117 -1.761 0.279 0.00 0.00 -0.023 C ATOM 18 C LIG 1 4.127 -0.642 0.205 0.00 0.00 +0.143 C ATOM 19 N LIG 1 5.384 -1.364 0.271 0.00 0.00 -0.292 N ATOM 20 C LIG 1 5.228 -2.791 0.092 0.00 0.00 +0.136 C ATOM 21 C LIG 1 3.745 -2.946 0.204 0.00 0.00 -0.002 C BRANCH 19 22 ATOM 22 C LIG 1 6.550 -0.750 -0.085 0.00 0.00 +0.218 A ATOM 23 N LIG 1 6.571 0.593 -0.181 0.00 0.00 -0.222 NA ATOM 24 C LIG 1 7.738 1.184 -0.513 0.00 0.00 +0.127 A ATOM 25 C LIG 1 8.891 0.482 -0.752 0.00 0.00 +0.050 A ATOM 26 C LIG 1 8.791 -0.880 -0.633 0.00 0.00 +0.127 A ATOM 27 N LIG 1 7.641 -1.508 -0.303 0.00 0.00 -0.222 NA BRANCH 25 28 ATOM 28 C LIG 1 10.140 1.152 -1.110 0.00 0.00 +0.261 C ATOM 29 O LIG 1 11.165 0.518 -1.327 0.00 0.00 -0.296 OA ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.825 1.255 -0.086 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.828 1.252 0.089 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.211 2.412 -0.491 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.979 2.606 -0.697 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.179 3.532 -0.649 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.028 3.694 -1.823 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -2.875 4.742 -1.880 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -2.946 5.719 -0.765 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -3.721 6.665 -0.801 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.098 5.484 0.289 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.135 6.161 1.044 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.229 4.424 0.352 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.912 2.700 -2.936 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.320 1.466 -2.545 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.646 2.580 -3.401 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.686 3.031 -4.003 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7