REMARK Name = BDB019496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.058 -0.845 -2.148 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -0.879 0.086 -1.141 0.00 0.00 +0.073 A ATOM 3 C LIG 1 0.510 0.158 -0.910 0.00 0.00 +0.017 A ATOM 4 C LIG 1 0.956 1.044 0.105 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.042 1.867 0.792 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -1.328 1.813 0.532 0.00 0.00 -0.012 A ATOM 7 C LIG 1 1.147 -0.717 -1.865 0.00 0.00 -0.023 A ATOM 8 C LIG 1 2.601 -0.926 -2.114 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -1.790 0.896 -0.429 0.00 0.00 +0.036 A ATOM 10 C LIG 1 0.142 -1.352 -2.564 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.262 2.705 1.227 0.00 0.00 +0.019 A ATOM 12 C LIG 1 -3.414 2.270 1.853 0.00 0.00 +0.124 A ATOM 13 N LIG 1 -4.300 3.075 2.481 0.00 0.00 -0.222 NA ATOM 14 C LIG 1 -4.034 4.393 2.487 0.00 0.00 +0.218 A ATOM 15 N LIG 1 -2.939 4.923 1.917 0.00 0.00 -0.222 NA ATOM 16 C LIG 1 -2.086 4.073 1.302 0.00 0.00 +0.124 A BRANCH 14 17 ATOM 17 N LIG 1 -4.936 5.256 3.120 0.00 0.00 -0.294 N ATOM 18 C LIG 1 -6.339 5.003 3.256 0.00 0.00 +0.146 C ATOM 19 C LIG 1 -6.508 6.520 3.452 0.00 0.00 +0.200 C ATOM 20 F LIG 1 -7.565 7.097 2.831 0.00 0.00 -0.242 F ATOM 21 C LIG 1 -5.150 6.620 2.735 0.00 0.00 +0.146 C ENDBRANCH 14 17 ENDBRANCH 6 11 BRANCH 4 22 ATOM 22 C LIG 1 2.373 1.166 0.504 0.00 0.00 +0.245 C ATOM 23 N LIG 1 3.007 -0.014 0.811 0.00 0.00 -0.307 N ATOM 24 H LIG 1 2.459 -0.865 0.883 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 2.877 2.279 0.620 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 4.340 -0.046 1.372 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 5.139 -1.122 0.706 0.00 0.00 +0.075 A ATOM 28 C LIG 1 4.725 -2.535 0.955 0.00 0.00 +0.257 A ATOM 29 O LIG 1 3.741 -2.811 1.635 0.00 0.00 -0.267 OA ATOM 30 N LIG 1 5.488 -3.513 0.366 0.00 0.00 -0.326 N ATOM 31 H LIG 1 5.185 -4.465 0.540 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 6.561 -3.275 -0.461 0.00 0.00 +0.019 A ATOM 33 C LIG 1 7.239 -4.460 -1.073 0.00 0.00 +0.063 C ATOM 34 C LIG 1 6.926 -2.006 -0.701 0.00 0.00 +0.067 A ATOM 35 C LIG 1 6.226 -0.913 -0.061 0.00 0.00 +0.132 A BRANCH 35 36 ATOM 36 O LIG 1 6.677 0.352 -0.375 0.00 0.00 -0.495 OA ATOM 37 C LIG 1 7.857 0.688 0.354 0.00 0.00 +0.277 C ENDBRANCH 35 36 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 4 22 BRANCH 1 38 ATOM 38 S LIG 1 -2.548 -1.502 -2.678 0.00 0.00 +0.061 S ATOM 39 O LIG 1 -2.252 -2.034 -3.996 0.00 0.00 -0.152 OA ATOM 40 O LIG 1 -3.529 -0.448 -2.495 0.00 0.00 -0.152 OA BRANCH 38 41 ATOM 41 C LIG 1 -3.058 -2.902 -1.641 0.00 0.00 +0.112 C ATOM 42 C LIG 1 -2.104 -3.359 -0.565 0.00 0.00 +0.034 C ATOM 43 C LIG 1 -3.329 -2.566 -0.192 0.00 0.00 +0.034 C BRANCH 41 44 ATOM 44 C LIG 1 -3.918 -3.880 -2.378 0.00 0.00 +0.058 C BRANCH 44 46 ATOM 45 C LIG 1 -5.696 -3.137 -3.983 0.00 0.00 +0.004 C ATOM 46 C LIG 1 -5.292 -3.383 -2.732 0.00 0.00 -0.032 C ENDBRANCH 44 46 ENDBRANCH 41 44 ENDBRANCH 38 41 ENDBRANCH 1 38 TORSDOF 10