REMARK Name = BDB022448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.354 0.952 0.197 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -2.233 0.924 -0.653 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.157 1.813 -0.485 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -1.219 2.742 0.562 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -2.319 2.780 1.419 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.377 1.890 1.239 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.006 1.764 -1.382 0.00 0.00 -0.016 A ATOM 8 C LIG 1 1.288 1.473 -0.883 0.00 0.00 +0.031 A ATOM 9 C LIG 1 2.410 1.423 -1.725 0.00 0.00 +0.034 A ATOM 10 C LIG 1 2.242 1.673 -3.086 0.00 0.00 +0.023 A ATOM 11 C LIG 1 0.975 1.962 -3.600 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -0.134 2.005 -2.755 0.00 0.00 +0.008 A BRANCH 9 13 ATOM 13 N LIG 1 3.649 1.112 -1.125 0.00 0.00 -0.282 N ATOM 14 H LIG 1 3.617 0.937 -0.130 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 4.880 1.022 -1.742 0.00 0.00 +0.241 C ATOM 16 O LIG 1 5.136 1.211 -2.924 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 5.953 0.648 -0.776 0.00 0.00 +0.064 C ATOM 18 C LIG 1 7.233 0.560 -1.175 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 8.417 0.198 -0.321 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 8.075 -0.362 0.994 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 9.204 -0.245 1.944 0.00 0.00 +0.113 C ATOM 22 C LIG 1 10.360 -1.219 1.668 0.00 0.00 +0.175 C ATOM 23 O LIG 1 9.901 -2.576 1.665 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 8.872 -2.760 0.686 0.00 0.00 +0.175 C ATOM 25 C LIG 1 7.694 -1.795 0.913 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 9 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -5.078 0.025 -1.411 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -4.527 -0.012 0.018 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 -4.188 -1.452 0.406 0.00 0.00 +0.225 C ATOM 29 N LIG 1 -5.138 -2.315 0.855 0.00 0.00 -0.268 N ATOM 30 H LIG 1 -4.775 -3.232 1.085 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 -3.039 -1.898 0.296 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 -6.487 -2.225 1.084 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -7.081 -3.316 1.580 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -8.371 -2.975 1.708 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -9.020 -3.664 2.073 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -8.631 -1.702 1.306 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -7.425 -1.186 0.892 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 -10.021 -1.019 1.323 0.00 0.00 +0.037 C ATOM 39 C LIG 1 -10.412 -0.105 0.193 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -10.126 0.464 1.553 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9