REMARK Name = BDB049371 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.887 -2.506 -0.714 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -1.757 -2.287 0.089 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.251 -0.985 0.208 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.174 -0.536 0.924 0.00 0.00 -0.232 NA ATOM 5 C LIG 1 -0.102 0.762 0.706 0.00 0.00 +0.111 A ATOM 6 N LIG 1 -1.129 1.170 -0.121 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -1.873 0.061 -0.463 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -3.005 -0.125 -1.264 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.498 -1.431 -1.376 0.00 0.00 +0.011 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -5.911 -3.640 -0.051 0.00 0.00 +0.070 C ATOM 11 C LIG 1 -4.729 -4.351 -0.589 0.00 0.00 +0.088 A ATOM 12 C LIG 1 -3.430 -3.840 -0.855 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -2.735 -4.930 -1.331 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -1.359 -5.157 -1.814 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -3.557 -6.014 -1.344 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -4.809 -5.654 -0.885 0.00 0.00 -0.083 NA ENDBRANCH 1 12 BRANCH 6 17 ATOM 17 C LIG 1 -1.405 2.528 -0.560 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 -2.388 3.239 0.383 0.00 0.00 +0.106 C BRANCH 18 19 ATOM 19 N LIG 1 -2.735 4.602 -0.058 0.00 0.00 -0.296 NA ATOM 20 C LIG 1 -1.561 5.506 -0.056 0.00 0.00 +0.112 C ATOM 21 C LIG 1 -1.962 6.980 0.111 0.00 0.00 +0.175 C ATOM 22 O LIG 1 -2.586 7.235 1.376 0.00 0.00 -0.377 OA ATOM 23 C LIG 1 -3.335 6.117 1.871 0.00 0.00 +0.175 C ATOM 24 C LIG 1 -3.829 5.177 0.760 0.00 0.00 +0.112 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 6 17 BRANCH 5 25 ATOM 25 C LIG 1 0.939 1.671 1.286 0.00 0.00 +0.079 C BRANCH 25 26 ATOM 26 C LIG 1 2.119 1.909 0.338 0.00 0.00 +0.043 C BRANCH 26 27 ATOM 27 C LIG 1 3.169 0.824 0.378 0.00 0.00 -0.047 A ATOM 28 C LIG 1 2.991 -0.374 -0.325 0.00 0.00 +0.007 A ATOM 29 C LIG 1 3.960 -1.383 -0.281 0.00 0.00 +0.046 A ATOM 30 C LIG 1 5.121 -1.210 0.469 0.00 0.00 +0.121 A ATOM 31 C LIG 1 5.305 -0.014 1.165 0.00 0.00 +0.046 A ATOM 32 C LIG 1 4.338 0.994 1.128 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 O LIG 1 6.147 -2.103 0.596 0.00 0.00 -0.489 OA BRANCH 33 34 ATOM 34 C LIG 1 5.968 -3.439 0.115 0.00 0.00 +0.167 C ATOM 35 C LIG 1 6.443 -3.536 -1.331 0.00 0.00 +0.051 C ATOM 36 C LIG 1 6.819 -4.343 1.005 0.00 0.00 +0.051 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 9