REMARK Name = BDB054079 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.849 -0.334 1.480 0.00 0.00 +0.139 A ATOM 2 C LIG 1 0.016 -0.543 0.360 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -1.326 -0.202 0.492 0.00 0.00 +0.152 A ATOM 4 O LIG 1 -2.303 -0.356 -0.473 0.00 0.00 -0.458 OA ATOM 5 C LIG 1 -3.519 -0.029 0.120 0.00 0.00 +0.127 C ATOM 6 C LIG 1 -3.307 0.670 1.442 0.00 0.00 +0.117 C ATOM 7 C LIG 1 -3.461 2.188 1.314 0.00 0.00 +0.033 C ATOM 8 C LIG 1 -4.302 0.095 2.436 0.00 0.00 +0.169 C ATOM 9 O LIG 1 -3.991 -0.100 3.618 0.00 0.00 -0.295 OA ATOM 10 C LIG 1 -5.723 -0.145 1.965 0.00 0.00 +0.192 C ATOM 11 C LIG 1 -5.887 -0.295 0.470 0.00 0.00 +0.177 C ATOM 12 O LIG 1 -6.994 -0.380 -0.059 0.00 0.00 -0.291 OA ATOM 13 C LIG 1 -4.685 -0.447 -0.375 0.00 0.00 +0.090 C ATOM 14 C LIG 1 -1.865 0.313 1.680 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -1.055 0.468 2.784 0.00 0.00 +0.128 A ATOM 16 C LIG 1 0.301 0.153 2.685 0.00 0.00 +0.092 A ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 0.502 -1.072 -0.948 0.00 0.00 +0.251 C ATOM 18 N LIG 1 1.604 -1.901 -0.906 0.00 0.00 -0.307 N ATOM 19 H LIG 1 2.127 -1.917 -0.037 0.00 0.00 +0.149 HD ATOM 20 O LIG 1 -0.054 -0.761 -1.997 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 2.303 -2.299 -2.107 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 3.214 -1.189 -2.586 0.00 0.00 -0.022 A ATOM 23 C LIG 1 4.500 -0.945 -2.029 0.00 0.00 -0.013 A ATOM 24 C LIG 1 5.248 0.166 -2.502 0.00 0.00 -0.017 A ATOM 25 C LIG 1 6.524 0.429 -1.980 0.00 0.00 +0.008 A ATOM 26 C LIG 1 7.077 -0.383 -0.992 0.00 0.00 +0.001 A ATOM 27 C LIG 1 6.359 -1.469 -0.511 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.707 1.013 -3.481 0.00 0.00 +0.023 A ATOM 29 C LIG 1 3.431 0.785 -3.995 0.00 0.00 +0.060 A ATOM 30 C LIG 1 5.088 -1.746 -1.023 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.703 -0.325 -3.574 0.00 0.00 +0.020 A BRANCH 29 32 ATOM 32 C LIG 1 2.885 1.737 -4.991 0.00 0.00 +0.337 C ATOM 33 O LIG 1 3.581 2.297 -5.820 0.00 0.00 -0.245 OA BRANCH 32 34 ATOM 34 O LIG 1 1.561 1.960 -4.856 0.00 0.00 -0.477 OA ATOM 35 H LIG 1 1.145 1.554 -4.069 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 29 32 ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 2 17 BRANCH 10 36 ATOM 36 C LIG 1 -6.662 0.897 2.518 0.00 0.00 +0.148 C ATOM 37 O LIG 1 -6.323 2.077 2.616 0.00 0.00 -0.296 OA ATOM 38 C LIG 1 -8.041 0.445 2.925 0.00 0.00 +0.087 C ENDBRANCH 10 36 BRANCH 1 40 ATOM 39 C LIG 1 3.085 0.080 2.178 0.00 0.00 +0.277 C ATOM 40 O LIG 1 2.180 -0.658 1.359 0.00 0.00 -0.494 OA ENDBRANCH 1 40 BRANCH 15 41 ATOM 41 O LIG 1 -1.516 0.910 3.983 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 -2.451 0.628 4.090 0.00 0.00 +0.292 HD ENDBRANCH 15 41 TORSDOF 8