REMARK Name = BDB057574 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.507 0.504 3.235 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.810 1.763 2.704 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.154 2.417 1.729 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.767 2.168 3.459 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.454 2.977 2.998 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.665 0.171 2.360 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.736 0.879 1.619 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.915 -0.139 2.913 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -6.106 0.017 2.169 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -7.364 -0.290 2.712 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -7.455 -0.834 3.987 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.293 -1.077 4.710 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -5.042 -0.744 4.174 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.104 0.522 0.779 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -6.689 1.571 0.530 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -5.436 -0.244 -0.307 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -5.056 0.439 -1.468 0.00 0.00 +0.026 A ATOM 18 C LIG 1 -4.445 -0.253 -2.522 0.00 0.00 +0.060 A ATOM 19 C LIG 1 -4.220 -1.631 -2.411 0.00 0.00 +0.015 A ATOM 20 C LIG 1 -4.606 -2.314 -1.256 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.215 -1.624 -0.206 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 C LIG 1 -4.061 0.508 -3.736 0.00 0.00 +0.337 C ATOM 23 O LIG 1 -4.148 1.712 -3.885 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 -3.597 -0.281 -4.723 0.00 0.00 -0.477 OA ATOM 25 H LIG 1 -3.399 0.347 -5.447 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -1.528 -0.679 3.334 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 0.712 -1.490 -0.287 0.00 0.00 +0.121 A ATOM 28 C LIG 1 -0.629 -1.864 -0.182 0.00 0.00 +0.046 A ATOM 29 C LIG 1 -1.351 -1.617 0.987 0.00 0.00 +0.007 A ATOM 30 C LIG 1 -0.744 -0.980 2.074 0.00 0.00 -0.045 A ATOM 31 C LIG 1 0.603 -0.612 1.969 0.00 0.00 +0.007 A ATOM 32 C LIG 1 1.326 -0.865 0.797 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 1.290 -1.782 -1.491 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 2.675 -1.475 -1.673 0.00 0.00 +0.235 C BRANCH 34 35 ATOM 35 C LIG 1 2.861 -0.028 -2.128 0.00 0.00 +0.100 C BRANCH 35 38 ATOM 36 C LIG 1 4.559 0.943 -4.870 0.00 0.00 +0.088 C ATOM 37 C LIG 1 4.951 0.710 -3.469 0.00 0.00 +0.126 A ATOM 38 C LIG 1 4.290 0.316 -2.326 0.00 0.00 +0.086 A ATOM 39 N LIG 1 5.176 0.275 -1.273 0.00 0.00 -0.214 NA ATOM 40 C LIG 1 6.331 0.636 -1.804 0.00 0.00 +0.228 A ATOM 41 O LIG 1 6.261 0.919 -3.143 0.00 0.00 -0.440 OA BRANCH 40 42 ATOM 42 C LIG 1 7.637 0.772 -1.164 0.00 0.00 +0.037 A ATOM 43 C LIG 1 7.760 0.539 0.214 0.00 0.00 +0.013 A ATOM 44 C LIG 1 8.996 0.657 0.854 0.00 0.00 +0.001 A ATOM 45 C LIG 1 10.128 1.010 0.122 0.00 0.00 +0.000 A ATOM 46 C LIG 1 10.024 1.245 -1.248 0.00 0.00 +0.001 A ATOM 47 C LIG 1 8.786 1.127 -1.887 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