REMARK Name = BDB045220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.206 1.853 -1.005 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.349 0.834 -0.830 0.00 0.00 +0.062 C ATOM 3 C LIG 1 -2.679 1.551 -0.587 0.00 0.00 +0.197 C ATOM 4 C LIG 1 -3.278 1.731 -1.993 0.00 0.00 +0.126 C ATOM 5 N LIG 1 -2.462 0.939 -2.937 0.00 0.00 -0.312 NA ATOM 6 H LIG 1 -1.849 1.569 -3.453 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.649 0.048 -2.100 0.00 0.00 +0.089 C BRANCH 3 8 ATOM 8 O LIG 1 -3.510 0.684 0.211 0.00 0.00 -0.445 OA BRANCH 8 9 ATOM 9 C LIG 1 -4.642 1.256 0.705 0.00 0.00 +0.403 C ATOM 10 N LIG 1 -5.389 0.381 1.471 0.00 0.00 -0.266 N ATOM 11 C LIG 1 -5.050 -1.027 1.610 0.00 0.00 +0.136 C ATOM 12 O LIG 1 -4.958 2.419 0.479 0.00 0.00 -0.226 OA BRANCH 10 13 ATOM 13 C LIG 1 -6.700 0.805 1.945 0.00 0.00 +0.149 C BRANCH 13 14 ATOM 14 C LIG 1 -7.816 0.381 1.031 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -8.601 -0.730 1.296 0.00 0.00 +0.171 A ATOM 16 O LIG 1 -8.486 -1.554 2.375 0.00 0.00 -0.452 OA ATOM 17 C LIG 1 -9.540 -2.503 2.112 0.00 0.00 +0.466 C ATOM 18 O LIG 1 -10.254 -2.243 0.889 0.00 0.00 -0.453 OA ATOM 19 C LIG 1 -9.610 -1.129 0.447 0.00 0.00 +0.167 A ATOM 20 C LIG 1 -9.898 -0.449 -0.716 0.00 0.00 +0.049 A ATOM 21 C LIG 1 -9.127 0.674 -1.018 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -8.095 1.084 -0.155 0.00 0.00 +0.009 A ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 8 9 ENDBRANCH 3 8 ENDBRANCH 1 2 BRANCH 1 24 ATOM 23 C LIG 1 1.673 0.529 -0.198 0.00 0.00 +0.247 C ATOM 24 N LIG 1 1.101 1.232 -1.275 0.00 0.00 -0.295 N ATOM 25 O LIG 1 1.181 0.495 0.928 0.00 0.00 -0.270 OA BRANCH 23 30 ATOM 26 C LIG 1 5.139 -0.858 0.278 0.00 0.00 +0.163 A ATOM 27 C LIG 1 5.253 -1.751 -0.805 0.00 0.00 +0.162 A ATOM 28 C LIG 1 4.159 -1.911 -1.667 0.00 0.00 +0.050 A ATOM 29 C LIG 1 2.986 -1.174 -1.472 0.00 0.00 +0.017 A ATOM 30 C LIG 1 2.909 -0.252 -0.425 0.00 0.00 +0.041 A ATOM 31 C LIG 1 3.977 -0.102 0.457 0.00 0.00 +0.062 A BRANCH 27 32 ATOM 32 O LIG 1 6.450 -2.397 -0.955 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.599 -3.276 -2.062 0.00 0.00 +0.277 C ENDBRANCH 27 32 BRANCH 26 34 ATOM 34 O LIG 1 6.135 -0.599 1.187 0.00 0.00 -0.488 OA BRANCH 34 35 ATOM 35 C LIG 1 6.684 -1.774 1.800 0.00 0.00 +0.231 C BRANCH 35 36 ATOM 36 C LIG 1 7.082 -1.427 3.235 0.00 0.00 +0.069 C BRANCH 36 37 ATOM 37 C LIG 1 8.238 -0.434 3.292 0.00 0.00 +0.163 C BRANCH 37 39 ATOM 38 C LIG 1 10.530 -0.178 2.808 0.00 0.00 +0.193 C ATOM 39 O LIG 1 9.421 -1.067 2.804 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 26 34 ENDBRANCH 23 30 BRANCH 24 40 ATOM 40 C LIG 1 1.964 1.853 -2.311 0.00 0.00 +0.070 C ATOM 41 C LIG 1 1.337 1.804 -3.704 0.00 0.00 +0.028 C ATOM 42 C LIG 1 2.358 3.282 -1.924 0.00 0.00 +0.028 C ENDBRANCH 24 40 ENDBRANCH 1 24 TORSDOF 14