REMARK Name = BDB011777 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.035 0.494 -0.276 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.268 0.607 0.615 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.654 1.721 0.992 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -2.039 -0.547 0.763 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.561 -1.649 1.590 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.198 -1.830 1.961 0.00 0.00 +0.058 A ATOM 7 C LIG 1 0.137 -2.824 2.908 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.822 -3.668 3.460 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.139 -3.542 3.063 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.899 -1.144 1.329 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.016 -0.748 2.082 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.071 -0.755 3.312 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.497 -2.550 2.145 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.700 -0.818 -0.086 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.230 -0.253 1.396 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.911 -1.038 0.464 0.00 0.00 +0.015 A ATOM 17 C LIG 1 5.064 -0.540 -0.152 0.00 0.00 +0.024 A ATOM 18 C LIG 1 5.563 0.728 0.179 0.00 0.00 +0.033 A ATOM 19 C LIG 1 4.907 1.479 1.157 0.00 0.00 +0.024 A ATOM 20 C LIG 1 3.750 0.988 1.770 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 6.716 1.164 -0.504 0.00 0.00 -0.286 N ATOM 22 H LIG 1 7.096 0.521 -1.188 0.00 0.00 +0.155 HD ATOM 23 C LIG 1 7.368 2.377 -0.367 0.00 0.00 +0.214 C ATOM 24 O LIG 1 7.069 3.295 0.387 0.00 0.00 -0.276 OA ATOM 25 C LIG 1 8.567 2.477 -1.276 0.00 0.00 +0.109 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 27 ATOM 26 C LIG 1 1.703 2.077 -1.023 0.00 0.00 +0.230 C ATOM 27 N LIG 1 0.795 1.686 -0.067 0.00 0.00 -0.301 N ATOM 28 H LIG 1 0.364 2.400 0.514 0.00 0.00 +0.150 HD ATOM 29 O LIG 1 1.982 1.348 -1.979 0.00 0.00 -0.274 OA BRANCH 26 30 ATOM 30 C LIG 1 2.306 3.500 -0.900 0.00 0.00 +0.137 C ATOM 31 C LIG 1 2.043 4.245 0.406 0.00 0.00 +0.034 C BRANCH 30 33 ATOM 32 C LIG 1 0.525 4.615 -2.196 0.00 0.00 +0.101 C ATOM 33 N LIG 1 1.943 4.298 -2.097 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 2.210 3.742 -2.915 0.00 0.00 +0.122 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 1 27 BRANCH 4 35 ATOM 35 C LIG 1 -3.482 -0.304 0.603 0.00 0.00 +0.153 C BRANCH 35 36 ATOM 36 C LIG 1 -4.227 -1.279 -0.310 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -5.511 -1.804 0.070 0.00 0.00 -0.010 A ATOM 38 C LIG 1 -6.148 -2.733 -0.791 0.00 0.00 -0.017 A ATOM 39 C LIG 1 -7.390 -3.296 -0.450 0.00 0.00 +0.008 A ATOM 40 C LIG 1 -8.037 -2.947 0.731 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -7.449 -2.027 1.583 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -5.546 -3.095 -1.998 0.00 0.00 +0.012 A ATOM 43 C LIG 1 -4.335 -2.534 -2.393 0.00 0.00 +0.046 A ATOM 44 C LIG 1 -6.211 -1.464 1.257 0.00 0.00 +0.009 A ATOM 45 C LIG 1 -3.680 -1.615 -1.574 0.00 0.00 +0.125 A BRANCH 45 46 ATOM 46 O LIG 1 -2.512 -0.987 -1.931 0.00 0.00 -0.495 OA ATOM 47 C LIG 1 -2.029 -1.190 -3.254 0.00 0.00 +0.277 C ENDBRANCH 45 46 ENDBRANCH 35 36 ENDBRANCH 4 35 TORSDOF 8