REMARK Name = BDB022470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.883 -1.861 -0.017 0.00 0.00 -0.035 A ATOM 2 C LIG 1 0.828 -1.042 -0.451 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.426 -1.574 -0.798 0.00 0.00 -0.022 A ATOM 4 C LIG 1 -0.615 -2.956 -0.701 0.00 0.00 +0.008 A ATOM 5 C LIG 1 0.420 -3.785 -0.268 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.658 -3.243 0.078 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.537 -0.685 -1.194 0.00 0.00 -0.041 C ATOM 8 C LIG 1 -2.892 -0.932 -0.587 0.00 0.00 +0.054 C ATOM 9 C LIG 1 -3.776 0.317 -0.649 0.00 0.00 +0.113 C ATOM 10 N LIG 1 -3.746 0.939 -1.975 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -4.803 1.682 -2.490 0.00 0.00 +0.239 C ATOM 12 O LIG 1 -4.684 2.522 -3.378 0.00 0.00 -0.271 OA ATOM 13 C LIG 1 -2.427 1.299 -2.483 0.00 0.00 +0.135 C ATOM 14 C LIG 1 -1.359 0.332 -2.058 0.00 0.00 -0.004 C BRANCH 11 15 ATOM 15 C LIG 1 -6.139 1.409 -1.912 0.00 0.00 +0.064 C ATOM 16 C LIG 1 -6.908 2.433 -1.518 0.00 0.00 -0.007 C BRANCH 16 17 ATOM 17 C LIG 1 -8.277 2.276 -0.925 0.00 0.00 +0.111 C BRANCH 17 18 ATOM 18 N LIG 1 -8.385 2.569 0.511 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 -8.022 3.941 0.855 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -7.652 1.611 1.334 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 11 15 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 3.791 -0.327 -0.674 0.00 0.00 +0.022 C ATOM 22 C LIG 1 3.242 -1.286 0.383 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 C LIG 1 3.208 -0.579 1.738 0.00 0.00 +0.225 C ATOM 24 N LIG 1 4.321 -0.439 2.506 0.00 0.00 -0.268 N ATOM 25 H LIG 1 4.160 0.095 3.351 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 2.170 -0.059 2.171 0.00 0.00 -0.275 OA BRANCH 24 27 ATOM 27 C LIG 1 5.626 -0.841 2.394 0.00 0.00 +0.147 A ATOM 28 N LIG 1 6.453 -0.460 3.377 0.00 0.00 -0.158 NA ATOM 29 N LIG 1 7.647 -0.964 3.033 0.00 0.00 -0.280 N ATOM 30 H LIG 1 8.441 -0.792 3.640 0.00 0.00 +0.189 HD ATOM 31 C LIG 1 7.613 -1.656 1.865 0.00 0.00 +0.041 A ATOM 32 C LIG 1 6.315 -1.595 1.418 0.00 0.00 +0.068 A BRANCH 31 33 ATOM 33 C LIG 1 8.799 -2.377 1.187 0.00 0.00 +0.037 C ATOM 34 C LIG 1 9.206 -1.969 -0.206 0.00 0.00 +0.010 C ATOM 35 C LIG 1 10.082 -1.621 0.964 0.00 0.00 +0.010 C ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8