REMARK Name = BDB057530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 2.572 0.540 1.135 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.784 -0.381 -0.073 0.00 0.00 +0.326 C ATOM 3 O LIG 1 3.536 -0.197 -1.020 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 2.024 -1.497 -0.025 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 2.230 -1.962 -0.862 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 3.862 1.042 1.677 0.00 0.00 -0.331 N ATOM 7 H LIG 1 4.334 1.660 0.997 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 4.781 0.057 2.106 0.00 0.00 +0.039 A ATOM 9 C LIG 1 6.056 -0.091 1.511 0.00 0.00 +0.043 A ATOM 10 C LIG 1 6.949 -1.067 1.984 0.00 0.00 +0.013 A ATOM 11 C LIG 1 6.574 -1.919 3.022 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.315 -1.793 3.602 0.00 0.00 +0.002 A ATOM 13 C LIG 1 4.429 -0.812 3.150 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 6.467 0.794 0.382 0.00 0.00 +0.195 C ATOM 15 O LIG 1 6.100 1.968 0.356 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 7.303 0.283 -0.732 0.00 0.00 +0.022 A ATOM 17 C LIG 1 8.288 1.118 -1.270 0.00 0.00 +0.012 A ATOM 18 C LIG 1 9.085 0.667 -2.323 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.891 -0.611 -2.847 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.893 -1.437 -2.328 0.00 0.00 +0.001 A ATOM 21 C LIG 1 7.095 -0.991 -1.273 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 1.724 1.751 0.706 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 -2.287 0.702 -0.533 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -1.327 1.077 -1.476 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -0.033 1.421 -1.079 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.321 1.395 0.274 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -0.643 1.019 1.218 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -1.938 0.672 0.817 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 -3.510 0.392 -1.058 0.00 0.00 -0.491 OA BRANCH 29 30 ATOM 30 C LIG 1 -4.542 0.020 -0.144 0.00 0.00 +0.237 C BRANCH 30 31 ATOM 31 C LIG 1 -5.849 -0.258 -0.921 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 -6.878 -1.016 -0.082 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -7.660 -2.009 -0.697 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.615 -2.722 0.030 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.807 -2.451 1.383 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.047 -1.464 2.006 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.091 -0.749 1.279 0.00 0.00 +0.004 A ENDBRANCH 31 32 BRANCH 31 39 ATOM 38 C LIG 1 -6.711 2.181 -0.675 0.00 0.00 +0.008 C ATOM 39 C LIG 1 -6.503 0.984 -1.607 0.00 0.00 -0.007 C ATOM 40 C LIG 1 -5.731 1.439 -2.850 0.00 0.00 +0.008 C ENDBRANCH 31 39 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 13