REMARK Name = BDB026050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.304 -1.303 0.399 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.729 -0.026 0.203 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.661 0.138 0.222 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.522 -0.956 0.439 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.925 -2.213 0.625 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.689 -3.296 0.840 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.457 -2.394 0.603 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.203 -4.176 -1.914 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.873 -3.465 -0.596 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.995 -3.396 0.380 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.327 -3.272 -0.206 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.784 -2.318 1.379 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.301 -1.962 1.606 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.716 -1.420 0.354 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.202 -2.091 -0.885 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.981 -0.778 0.466 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.610 0.290 1.074 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.949 0.481 1.112 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.731 -0.432 0.515 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.220 -1.507 -0.106 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.875 -1.655 -0.114 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 7.117 -0.272 0.563 0.00 0.00 -0.297 N ATOM 23 C LIG 1 7.550 1.113 0.793 0.00 0.00 +0.123 C ATOM 24 C LIG 1 9.089 1.200 0.901 0.00 0.00 +0.100 C ATOM 25 N LIG 1 9.800 0.580 -0.236 0.00 0.00 -0.313 NA ATOM 26 H LIG 1 9.505 1.056 -1.088 0.00 0.00 +0.122 HD ATOM 27 C LIG 1 9.367 -0.830 -0.330 0.00 0.00 +0.100 C ATOM 28 C LIG 1 7.839 -1.000 -0.488 0.00 0.00 +0.123 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.646 1.024 -0.011 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.608 0.688 -0.009 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.386 2.360 -0.172 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.300 2.921 -0.118 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.626 3.161 -0.379 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.455 3.077 -1.571 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.551 3.853 -1.656 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.930 4.785 -0.561 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -5.952 5.452 -0.678 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.066 4.819 0.530 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -4.346 5.728 1.632 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -2.937 4.020 0.603 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -3.045 2.161 -2.682 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.752 2.328 -3.049 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.202 0.859 -2.331 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.792 2.342 -3.802 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6