REMARK Name = BDB029672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.995 0.379 -1.981 0.00 0.00 -0.292 NA ATOM 2 C LIG 1 0.831 -0.739 -1.019 0.00 0.00 +0.079 C ATOM 3 C LIG 1 -0.569 -1.133 -0.591 0.00 0.00 +0.092 C ATOM 4 N LIG 1 -1.765 -0.463 -1.161 0.00 0.00 -0.323 N ATOM 5 C LIG 1 -1.491 0.611 -2.140 0.00 0.00 +0.121 C ATOM 6 C LIG 1 0.345 -0.430 0.369 0.00 0.00 +0.044 C ATOM 7 C LIG 1 -0.160 0.406 -2.899 0.00 0.00 +0.104 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -2.954 -0.392 -0.403 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -3.149 -1.155 0.758 0.00 0.00 +0.134 A ATOM 10 N LIG 1 -4.266 -1.162 1.533 0.00 0.00 -0.249 NA ATOM 11 C LIG 1 -5.275 -0.358 1.140 0.00 0.00 +0.125 A ATOM 12 C LIG 1 -5.211 0.442 0.008 0.00 0.00 +0.035 A ATOM 13 C LIG 1 -4.044 0.414 -0.762 0.00 0.00 +0.027 A BRANCH 11 14 ATOM 14 C LIG 1 -6.505 -0.366 1.990 0.00 0.00 +0.263 C ATOM 15 N LIG 1 -7.706 -0.475 1.306 0.00 0.00 -0.303 N ATOM 16 H LIG 1 -7.681 -0.629 0.305 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -6.445 -0.278 3.211 0.00 0.00 -0.269 OA BRANCH 15 18 ATOM 18 C LIG 1 -9.000 -0.474 2.030 0.00 0.00 +0.124 C ATOM 19 C LIG 1 -9.509 0.921 2.425 0.00 0.00 +0.184 C ATOM 20 O LIG 1 -10.462 0.922 1.328 0.00 0.00 -0.376 OA ATOM 21 C LIG 1 -10.244 -0.498 1.131 0.00 0.00 +0.184 C ENDBRANCH 15 18 ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 22 C LIG 1 2.257 0.320 -2.730 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 7.863 0.381 0.594 0.00 0.00 +0.019 A ATOM 24 C LIG 1 7.858 -0.825 -0.299 0.00 0.00 +0.252 A ATOM 25 O LIG 1 8.802 -1.608 -0.339 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 6.747 -1.021 -1.078 0.00 0.00 -0.321 N ATOM 27 H LIG 1 6.761 -1.841 -1.669 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 5.650 -0.152 -1.081 0.00 0.00 +0.068 A ATOM 29 C LIG 1 5.657 0.978 -0.266 0.00 0.00 +0.088 A ATOM 30 N LIG 1 4.647 1.870 -0.211 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 3.580 1.613 -1.005 0.00 0.00 +0.116 A ATOM 32 C LIG 1 3.473 0.510 -1.855 0.00 0.00 -0.013 A ATOM 33 C LIG 1 4.546 -0.388 -1.891 0.00 0.00 +0.034 A ATOM 34 C LIG 1 6.817 1.226 0.583 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 9.103 -0.290 2.674 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.084 0.605 1.442 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6