REMARK Name = BDB010778 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.363 -1.453 -0.417 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.138 -1.346 0.237 0.00 0.00 +0.128 A ATOM 3 C LIG 1 0.821 -2.329 0.081 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.956 -2.036 0.772 0.00 0.00 -0.212 NA ATOM 5 C LIG 1 1.734 -0.879 1.368 0.00 0.00 +0.117 A ATOM 6 N LIG 1 0.661 -3.437 -0.659 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -0.560 -3.480 -1.227 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.438 -0.454 1.118 0.00 0.00 -0.319 N ATOM 9 N LIG 1 -1.550 -2.568 -1.145 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.734 -0.143 2.229 0.00 0.00 +0.063 C ATOM 11 C LIG 1 4.124 0.065 1.590 0.00 0.00 +0.029 C ATOM 12 C LIG 1 4.833 -1.285 1.764 0.00 0.00 +0.009 C ATOM 13 C LIG 1 4.252 -1.877 3.052 0.00 0.00 +0.001 C ATOM 14 C LIG 1 3.088 -0.972 3.470 0.00 0.00 +0.012 C BRANCH 11 15 ATOM 15 C LIG 1 4.138 0.708 0.222 0.00 0.00 -0.044 A ATOM 16 C LIG 1 4.006 -0.028 -0.964 0.00 0.00 +0.004 A ATOM 17 C LIG 1 4.008 0.610 -2.207 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.144 1.993 -2.285 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.272 2.742 -1.119 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.266 2.105 0.124 0.00 0.00 +0.004 A ENDBRANCH 11 15 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -2.345 -0.472 -0.336 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.930 0.454 -0.394 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -3.978 0.788 -1.622 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -3.541 -0.615 -1.179 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -4.677 -1.255 -0.376 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -4.605 -2.783 -0.087 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.140 -2.805 -0.222 0.00 0.00 +0.001 C ATOM 28 C LIG 1 -5.997 -1.572 -1.137 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 29 ATOM 29 C LIG 1 -0.813 -4.709 -2.058 0.00 0.00 +0.375 C ATOM 30 O LIG 1 -1.834 -4.961 -2.675 0.00 0.00 -0.242 OA BRANCH 29 31 ATOM 31 O LIG 1 0.271 -5.537 -2.045 0.00 0.00 -0.475 OA ATOM 32 H LIG 1 0.985 -5.146 -1.488 0.00 0.00 +0.296 HD ENDBRANCH 29 31 ENDBRANCH 7 29 BRANCH 8 33 ATOM 33 C LIG 1 -0.252 0.651 1.773 0.00 0.00 +0.158 C BRANCH 33 34 ATOM 34 C LIG 1 -0.357 1.909 0.940 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -1.337 2.855 1.287 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -1.481 4.041 0.562 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -0.646 4.314 -0.529 0.00 0.00 +0.055 A ATOM 38 C LIG 1 0.344 3.382 -0.867 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.487 2.196 -0.140 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -0.777 5.604 -1.300 0.00 0.00 +0.417 C ATOM 41 F LIG 1 0.073 6.566 -0.847 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.508 5.460 -2.628 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.026 6.145 -1.231 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 10