REMARK Name = BDB034551 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.342 -0.065 -0.141 0.00 0.00 +0.031 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -4.772 -2.579 -0.917 0.00 0.00 +0.028 C ATOM 3 C LIG 1 -4.222 -2.029 0.394 0.00 0.00 +0.072 C ATOM 4 N LIG 1 -3.749 -0.627 0.262 0.00 0.00 -0.308 N ATOM 5 C LIG 1 -2.417 -0.489 0.880 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -2.169 -1.813 1.605 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -2.998 -2.827 0.846 0.00 0.00 +0.024 C BRANCH 4 8 ATOM 8 C LIG 1 -4.683 0.413 0.208 0.00 0.00 +0.143 A ATOM 9 N LIG 1 -5.955 0.121 0.093 0.00 0.00 -0.156 NA ATOM 10 N LIG 1 -6.866 1.128 0.035 0.00 0.00 -0.241 N ATOM 11 H LIG 1 -7.838 0.851 -0.060 0.00 0.00 +0.192 HD ATOM 12 C LIG 1 -6.592 2.467 0.082 0.00 0.00 +0.277 A ATOM 13 O LIG 1 -7.474 3.315 0.019 0.00 0.00 -0.266 OA ATOM 14 C LIG 1 -5.176 2.816 0.214 0.00 0.00 +0.124 A ATOM 15 C LIG 1 -4.259 1.842 0.277 0.00 0.00 +0.063 A BRANCH 14 16 ATOM 16 C LIG 1 -4.886 4.261 0.268 0.00 0.00 +0.423 C ATOM 17 F LIG 1 -5.460 4.880 1.330 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -5.267 4.923 -0.854 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -3.545 4.490 0.391 0.00 0.00 -0.166 F ENDBRANCH 14 16 ENDBRANCH 4 8 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -0.986 -1.050 -1.256 0.00 0.00 +0.098 C BRANCH 20 21 ATOM 21 C LIG 1 0.193 -1.939 -0.899 0.00 0.00 +0.216 C ATOM 22 N LIG 1 1.456 -1.363 -0.826 0.00 0.00 -0.298 N ATOM 23 C LIG 1 1.820 -0.109 -1.502 0.00 0.00 +0.126 C ATOM 24 C LIG 1 3.032 0.593 -0.862 0.00 0.00 +0.127 C ATOM 25 N LIG 1 4.148 -0.344 -0.680 0.00 0.00 -0.297 N ATOM 26 C LIG 1 3.802 -1.578 0.043 0.00 0.00 +0.127 C ATOM 27 C LIG 1 2.589 -2.270 -0.601 0.00 0.00 +0.126 C ATOM 28 O LIG 1 0.004 -3.130 -0.645 0.00 0.00 -0.276 OA BRANCH 25 29 ATOM 29 C LIG 1 5.322 0.261 -0.226 0.00 0.00 +0.218 A ATOM 30 N LIG 1 5.509 1.574 -0.451 0.00 0.00 -0.222 NA ATOM 31 C LIG 1 6.667 2.132 -0.040 0.00 0.00 +0.128 A ATOM 32 C LIG 1 7.665 1.434 0.590 0.00 0.00 +0.091 A ATOM 33 C LIG 1 7.391 0.106 0.791 0.00 0.00 +0.128 A ATOM 34 N LIG 1 6.247 -0.489 0.396 0.00 0.00 -0.222 NA BRANCH 32 35 ATOM 35 C LIG 1 8.919 2.073 1.053 0.00 0.00 +0.420 C ATOM 36 F LIG 1 9.301 3.124 0.277 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.813 2.563 2.318 0.00 0.00 -0.166 F ATOM 38 F LIG 1 9.979 1.220 1.071 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 25 29 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7