REMARK Name = BDB057561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.448 -3.321 0.109 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.465 -3.822 1.568 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.039 -3.307 2.515 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.788 -4.994 1.740 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.440 -5.402 0.926 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.419 -2.257 -0.232 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.662 -2.313 -1.230 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.334 -0.909 0.133 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.015 0.073 -0.630 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.976 1.437 -0.289 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -3.307 1.845 0.858 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.689 0.893 1.659 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.717 -0.463 1.306 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -4.754 -0.327 -1.856 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.227 -1.103 -2.650 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.127 0.176 -2.121 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.018 0.461 -1.077 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.311 0.911 -1.362 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -8.714 1.077 -2.694 0.00 0.00 +0.059 A ATOM 20 C LIG 1 -7.837 0.760 -3.737 0.00 0.00 +0.015 A ATOM 21 C LIG 1 -6.546 0.310 -3.451 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -10.078 1.541 -3.036 0.00 0.00 +0.337 C ATOM 23 O LIG 1 -10.720 1.091 -3.968 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -10.513 2.542 -2.241 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 -9.837 2.920 -1.649 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -1.050 -3.117 -0.511 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 1.614 -0.207 1.279 0.00 0.00 +0.121 A ATOM 28 C LIG 1 0.983 0.053 0.062 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.126 -0.886 -0.516 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -0.123 -2.108 0.121 0.00 0.00 -0.045 A ATOM 31 C LIG 1 0.526 -2.373 1.334 0.00 0.00 +0.007 A ATOM 32 C LIG 1 1.384 -1.427 1.911 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 2.417 0.803 1.726 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 3.095 0.656 2.974 0.00 0.00 +0.235 C BRANCH 34 35 ATOM 35 C LIG 1 4.417 -0.102 2.838 0.00 0.00 +0.100 C BRANCH 35 38 ATOM 36 C LIG 1 6.132 2.746 3.462 0.00 0.00 +0.088 C ATOM 37 C LIG 1 6.128 1.792 2.341 0.00 0.00 +0.126 A ATOM 38 C LIG 1 5.444 0.630 2.046 0.00 0.00 +0.086 A ATOM 39 N LIG 1 5.874 0.145 0.831 0.00 0.00 -0.214 NA ATOM 40 C LIG 1 6.766 1.026 0.421 0.00 0.00 +0.228 A ATOM 41 O LIG 1 6.973 2.057 1.301 0.00 0.00 -0.440 OA BRANCH 40 42 ATOM 42 C LIG 1 7.547 1.043 -0.813 0.00 0.00 +0.037 A ATOM 43 C LIG 1 8.486 2.050 -1.087 0.00 0.00 +0.013 A ATOM 44 C LIG 1 9.218 2.040 -2.277 0.00 0.00 +0.001 A ATOM 45 C LIG 1 9.021 1.023 -3.210 0.00 0.00 +0.000 A ATOM 46 C LIG 1 8.092 0.017 -2.954 0.00 0.00 +0.001 A ATOM 47 C LIG 1 7.361 0.028 -1.764 0.00 0.00 +0.013 A ENDBRANCH 40 42 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 15