REMARK Name = BDB011979 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.791 1.625 -0.241 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.710 1.654 -0.058 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.309 2.735 -0.136 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 1.374 0.444 0.160 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.742 -0.855 0.360 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.456 -1.345 -0.256 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.736 -2.727 -0.112 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.006 -3.578 0.716 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.053 -3.069 1.429 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.378 -0.574 -1.066 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.711 -0.918 -1.396 0.00 0.00 +0.252 C ATOM 12 O LIG 1 -3.287 -0.457 -2.382 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.415 -1.737 1.245 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.006 0.769 -1.476 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -3.549 -1.728 -0.479 0.00 0.00 +0.048 A ATOM 16 C LIG 1 -4.453 -2.696 -0.948 0.00 0.00 +0.029 A ATOM 17 C LIG 1 -5.295 -3.347 -0.027 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -5.241 -3.044 1.334 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.359 -2.072 1.793 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.529 -1.405 0.892 0.00 0.00 +0.014 A BRANCH 16 21 ATOM 21 C LIG 1 -4.621 -3.105 -2.373 0.00 0.00 +0.161 C ATOM 22 O LIG 1 -5.751 -3.381 -2.779 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -3.423 -3.271 -3.270 0.00 0.00 +0.091 C ENDBRANCH 16 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -1.820 3.674 0.664 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.282 2.995 -0.414 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.772 3.563 -1.081 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -2.085 3.126 1.734 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -2.020 5.189 0.426 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -0.776 5.910 0.945 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -3.554 7.018 0.996 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -3.279 5.595 1.074 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -3.260 5.284 2.048 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 2.842 0.589 0.360 0.00 0.00 +0.149 C BRANCH 33 34 ATOM 34 C LIG 1 3.757 -0.447 -0.300 0.00 0.00 -0.019 A ATOM 35 C LIG 1 4.774 -1.121 0.469 0.00 0.00 -0.013 A ATOM 36 C LIG 1 5.559 -2.121 -0.161 0.00 0.00 -0.018 A ATOM 37 C LIG 1 6.541 -2.827 0.555 0.00 0.00 +0.008 A ATOM 38 C LIG 1 6.787 -2.556 1.897 0.00 0.00 +0.001 A ATOM 39 C LIG 1 6.056 -1.569 2.536 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.370 -2.414 -1.512 0.00 0.00 +0.009 A ATOM 41 C LIG 1 4.439 -1.714 -2.268 0.00 0.00 +0.004 A ATOM 42 C LIG 1 5.072 -0.864 1.834 0.00 0.00 +0.009 A ATOM 43 C LIG 1 3.650 -0.712 -1.691 0.00 0.00 -0.045 A ATOM 44 C LIG 1 2.696 0.010 -2.603 0.00 0.00 +0.044 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7