REMARK Name = BDB064478 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.535 -0.579 -1.204 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -2.280 -0.911 -2.525 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -1.796 -0.745 -3.649 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -3.531 -1.469 -2.416 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -3.856 -1.886 -3.280 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -4.250 -1.682 -1.231 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -4.123 -0.893 -0.075 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.819 -1.256 1.091 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -5.682 -2.352 1.088 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -5.865 -3.086 -0.079 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -3.357 0.394 -0.069 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -5.158 -2.749 -1.235 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -2.182 0.562 -0.579 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -3.992 1.597 0.561 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.361 1.857 0.413 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.923 2.986 1.011 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -5.123 3.861 1.746 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -3.756 3.615 1.879 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.189 2.488 1.282 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 21 ATOM 20 C LIG 1 0.805 -1.093 -1.655 0.00 0.00 +0.246 C ATOM 21 N LIG 1 -0.192 -0.163 -1.501 0.00 0.00 -0.282 N ATOM 22 H LIG 1 -0.107 0.748 -1.926 0.00 0.00 +0.151 HD ATOM 23 O LIG 1 0.718 -2.267 -1.317 0.00 0.00 -0.270 OA BRANCH 20 25 ATOM 24 C LIG 1 3.295 -0.721 -1.645 0.00 0.00 -0.021 A ATOM 25 C LIG 1 2.047 -0.582 -2.279 0.00 0.00 +0.041 A ATOM 26 C LIG 1 1.947 0.010 -3.549 0.00 0.00 +0.013 A ATOM 27 C LIG 1 3.092 0.466 -4.200 0.00 0.00 +0.001 A ATOM 28 C LIG 1 4.337 0.321 -3.594 0.00 0.00 +0.000 A ATOM 29 C LIG 1 4.439 -0.275 -2.334 0.00 0.00 +0.005 A BRANCH 24 30 ATOM 30 C LIG 1 3.443 -1.374 -0.282 0.00 0.00 +0.120 C BRANCH 30 36 ATOM 31 C LIG 1 5.987 1.653 1.954 0.00 0.00 +0.039 C ATOM 32 C LIG 1 4.532 1.287 2.229 0.00 0.00 +0.129 C ATOM 33 O LIG 1 4.488 0.447 3.395 0.00 0.00 -0.374 OA ATOM 34 C LIG 1 4.048 -0.888 3.124 0.00 0.00 +0.175 C ATOM 35 C LIG 1 4.656 -1.456 1.833 0.00 0.00 +0.113 C ATOM 36 N LIG 1 4.365 -0.655 0.623 0.00 0.00 -0.294 NA ATOM 37 C LIG 1 3.827 0.672 0.998 0.00 0.00 +0.116 C ENDBRANCH 30 36 ENDBRANCH 24 30 ENDBRANCH 20 25 ENDBRANCH 1 21 TORSDOF 5