REMARK Name = BDB057502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.242 -1.712 -2.551 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 0.976 -2.169 0.311 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.311 -2.621 0.610 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.351 -2.482 -0.312 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.116 -1.887 -1.556 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.174 -1.430 -1.854 0.00 0.00 +0.007 A ATOM 7 C LIG 1 1.213 -1.570 -0.926 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 1.891 -2.367 1.307 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 3.243 -1.956 1.082 0.00 0.00 +0.237 C BRANCH 9 10 ATOM 10 C LIG 1 3.426 -0.486 1.455 0.00 0.00 +0.115 C BRANCH 10 13 ATOM 11 C LIG 1 5.237 0.991 3.476 0.00 0.00 +0.150 C ATOM 12 N LIG 1 5.605 0.628 2.129 0.00 0.00 -0.337 N ATOM 13 C LIG 1 4.824 -0.031 1.210 0.00 0.00 +0.113 A ATOM 14 N LIG 1 5.482 -0.183 0.077 0.00 0.00 -0.232 NA ATOM 15 C LIG 1 6.725 0.380 0.268 0.00 0.00 +0.089 A ATOM 16 C LIG 1 6.816 0.888 1.545 0.00 0.00 +0.115 A BRANCH 15 17 ATOM 17 C LIG 1 7.751 0.413 -0.765 0.00 0.00 +0.002 A ATOM 18 C LIG 1 9.018 0.975 -0.546 0.00 0.00 +0.010 A ATOM 19 C LIG 1 9.977 0.995 -1.564 0.00 0.00 +0.001 A ATOM 20 C LIG 1 9.682 0.455 -2.813 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.429 -0.109 -3.045 0.00 0.00 +0.001 A ATOM 22 C LIG 1 7.472 -0.129 -2.028 0.00 0.00 +0.010 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -2.925 -0.334 -2.450 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -3.779 -0.118 -3.712 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -3.359 -0.321 -4.847 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -5.033 0.344 -3.515 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -5.295 0.483 -2.574 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -3.720 -0.268 -1.196 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.637 -0.717 -1.251 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.656 0.870 -0.383 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.813 1.434 0.201 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -4.734 2.598 0.983 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -3.499 3.186 1.239 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -2.344 2.618 0.714 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -2.424 1.475 -0.088 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -6.143 0.844 -0.092 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -6.340 0.400 -1.225 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -7.217 0.766 0.928 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -6.933 0.604 2.290 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -7.977 0.528 3.214 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -9.302 0.601 2.781 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -9.588 0.741 1.424 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -8.549 0.815 0.497 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13