REMARK Name = BDB034548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.957 -1.674 1.640 0.00 0.00 +0.137 C ATOM 2 C LIG 1 -5.005 -0.792 0.936 0.00 0.00 +0.138 C ATOM 3 N LIG 1 -4.317 0.468 0.611 0.00 0.00 -0.308 N ATOM 4 C LIG 1 -2.926 0.426 1.060 0.00 0.00 +0.078 C ATOM 5 C LIG 1 -2.954 -0.651 2.155 0.00 0.00 +0.055 C ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -4.979 1.514 -0.008 0.00 0.00 +0.143 A ATOM 7 N LIG 1 -6.243 1.354 -0.316 0.00 0.00 -0.156 NA ATOM 8 N LIG 1 -6.903 2.376 -0.922 0.00 0.00 -0.241 N ATOM 9 H LIG 1 -7.877 2.211 -1.153 0.00 0.00 +0.192 HD ATOM 10 C LIG 1 -6.374 3.593 -1.256 0.00 0.00 +0.277 A ATOM 11 O LIG 1 -7.042 4.462 -1.803 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -4.963 3.786 -0.911 0.00 0.00 +0.124 A ATOM 13 C LIG 1 -4.288 2.797 -0.312 0.00 0.00 +0.063 A BRANCH 12 14 ATOM 14 C LIG 1 -4.402 5.104 -1.267 0.00 0.00 +0.423 C ATOM 15 F LIG 1 -4.434 5.355 -2.599 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -3.090 5.199 -0.903 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -5.028 6.131 -0.638 0.00 0.00 -0.166 F ENDBRANCH 12 14 ENDBRANCH 3 6 BRANCH 1 18 ATOM 18 O LIG 1 -3.262 -2.562 0.761 0.00 0.00 -0.375 OA BRANCH 18 20 ATOM 19 C LIG 1 -3.180 -4.573 -0.515 0.00 0.00 +0.034 C ATOM 20 C LIG 1 -4.016 -3.724 0.421 0.00 0.00 +0.157 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 4 21 ATOM 21 C LIG 1 -2.001 0.138 -0.136 0.00 0.00 +0.032 C BRANCH 21 22 ATOM 22 C LIG 1 -0.548 -0.129 0.263 0.00 0.00 +0.098 C BRANCH 22 23 ATOM 23 C LIG 1 0.394 -0.100 -0.933 0.00 0.00 +0.216 C ATOM 24 N LIG 1 1.742 -0.272 -0.660 0.00 0.00 -0.298 N ATOM 25 C LIG 1 2.296 -0.527 0.676 0.00 0.00 +0.126 C ATOM 26 C LIG 1 3.762 -0.997 0.660 0.00 0.00 +0.127 C ATOM 27 N LIG 1 4.584 -0.076 -0.119 0.00 0.00 -0.297 N ATOM 28 C LIG 1 4.029 0.491 -1.352 0.00 0.00 +0.127 C ATOM 29 C LIG 1 2.711 -0.193 -1.759 0.00 0.00 +0.126 C ATOM 30 O LIG 1 -0.023 0.079 -2.077 0.00 0.00 -0.276 OA BRANCH 27 31 ATOM 31 C LIG 1 5.953 -0.145 0.009 0.00 0.00 +0.218 A ATOM 32 N LIG 1 6.481 -0.953 0.945 0.00 0.00 -0.222 NA ATOM 33 C LIG 1 7.823 -0.988 1.069 0.00 0.00 +0.128 A ATOM 34 C LIG 1 8.677 -0.240 0.299 0.00 0.00 +0.091 A ATOM 35 C LIG 1 8.059 0.550 -0.635 0.00 0.00 +0.128 A ATOM 36 N LIG 1 6.721 0.614 -0.791 0.00 0.00 -0.222 NA BRANCH 34 37 ATOM 37 C LIG 1 10.151 -0.315 0.439 0.00 0.00 +0.420 C ATOM 38 F LIG 1 10.553 -0.550 1.719 0.00 0.00 -0.166 F ATOM 39 F LIG 1 10.784 0.828 0.056 0.00 0.00 -0.166 F ATOM 40 F LIG 1 10.694 -1.312 -0.310 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 27 31 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 9