REMARK Name = BDB037500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.625 2.292 -0.089 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.299 1.232 -0.722 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.938 -0.097 -0.621 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.038 -0.839 -1.131 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.019 -0.002 -1.512 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.344 -0.536 -0.001 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.306 0.669 0.084 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.451 1.237 -1.503 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.585 1.958 0.556 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.101 2.673 1.423 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.016 -1.183 1.336 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.715 -0.519 2.362 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.990 -1.163 3.571 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.564 -2.469 3.767 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.826 -3.080 4.928 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.132 -3.148 2.776 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.406 -2.507 1.567 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -2.994 2.255 -2.335 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.189 3.299 -2.808 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.727 4.275 -3.649 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.062 4.203 -4.038 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.859 3.145 -3.602 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.327 2.167 -2.761 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.478 0.444 0.933 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.663 1.159 1.629 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.452 -0.459 0.584 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.377 -1.159 -0.420 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.644 -0.537 1.471 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.848 -1.004 0.925 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.005 -1.099 1.715 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.931 -0.741 3.071 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.730 -0.291 3.623 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.586 -0.191 2.828 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.296 -1.616 1.128 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.447 -2.956 1.310 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.400 -1.405 -0.213 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.399 -1.036 1.680 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.132 -2.310 -1.248 0.00 0.00 +0.269 C ATOM 39 N LIG 1 -3.381 -2.943 -1.217 0.00 0.00 -0.270 N ATOM 40 O LIG 1 -1.105 -2.981 -1.365 0.00 0.00 -0.268 OA BRANCH 39 41 ATOM 41 C LIG 1 -3.409 -4.364 -1.570 0.00 0.00 +0.228 C BRANCH 41 42 ATOM 42 C LIG 1 -3.443 -4.598 -3.026 0.00 0.00 +0.082 C ATOM 43 N LIG 1 -3.488 -4.803 -4.168 0.00 0.00 -0.195 NA ENDBRANCH 41 42 ENDBRANCH 39 41 BRANCH 39 44 ATOM 44 C LIG 1 -4.666 -2.276 -0.982 0.00 0.00 +0.228 C BRANCH 44 45 ATOM 45 C LIG 1 -5.358 -1.845 -2.212 0.00 0.00 +0.082 C ATOM 46 N LIG 1 -5.938 -1.522 -3.164 0.00 0.00 -0.195 NA ENDBRANCH 44 45 ENDBRANCH 39 44 ENDBRANCH 4 38 BRANCH 1 48 ATOM 47 C LIG 1 -0.569 4.800 -0.020 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -1.301 3.518 0.359 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 11