REMARK Name = BDB049804 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.030 0.279 2.315 0.00 0.00 +0.057 C ATOM 2 C LIG 1 1.222 1.119 1.812 0.00 0.00 +0.037 C ATOM 3 C LIG 1 2.529 0.333 1.771 0.00 0.00 +0.109 C ATOM 4 N LIG 1 2.782 -0.423 2.994 0.00 0.00 -0.295 N ATOM 5 C LIG 1 3.717 -1.469 3.053 0.00 0.00 +0.282 C ATOM 6 O LIG 1 3.692 -2.298 3.963 0.00 0.00 -0.267 OA ATOM 7 C LIG 1 1.799 -0.280 4.062 0.00 0.00 +0.109 C ATOM 8 C LIG 1 0.413 -0.607 3.522 0.00 0.00 +0.037 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.699 -1.612 1.987 0.00 0.00 +0.195 A ATOM 10 N LIG 1 5.408 -2.772 1.789 0.00 0.00 -0.334 N ATOM 11 H LIG 1 5.341 -3.579 2.384 0.00 0.00 +0.168 HD ATOM 12 C LIG 1 6.203 -2.619 0.683 0.00 0.00 +0.067 A ATOM 13 C LIG 1 6.026 -1.287 0.312 0.00 0.00 +0.102 A ATOM 14 C LIG 1 6.775 -0.791 -0.768 0.00 0.00 +0.064 A ATOM 15 C LIG 1 7.627 -1.659 -1.476 0.00 0.00 +0.015 A ATOM 16 C LIG 1 7.769 -2.986 -1.078 0.00 0.00 +0.003 A ATOM 17 C LIG 1 7.070 -3.492 0.023 0.00 0.00 +0.028 A ATOM 18 N LIG 1 5.080 -0.689 1.116 0.00 0.00 -0.223 NA BRANCH 14 19 ATOM 19 C LIG 1 6.732 0.641 -1.110 0.00 0.00 +0.244 C ATOM 20 O LIG 1 6.942 1.517 -0.285 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 6.472 0.945 -2.416 0.00 0.00 -0.325 N ATOM 22 H LIG 1 6.374 1.938 -2.610 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 6.016 0.279 -3.030 0.00 0.00 +0.145 HD ENDBRANCH 14 19 ENDBRANCH 5 9 BRANCH 1 24 ATOM 24 N LIG 1 -0.586 -0.596 1.304 0.00 0.00 -0.310 NA ATOM 25 H LIG 1 0.100 -1.281 0.982 0.00 0.00 +0.122 HD BRANCH 24 30 ATOM 26 C LIG 1 -5.121 0.223 -1.731 0.00 0.00 +0.403 C ATOM 27 N LIG 1 -3.957 0.187 -0.987 0.00 0.00 -0.267 N ATOM 28 C LIG 1 -3.253 1.395 -0.567 0.00 0.00 +0.112 C ATOM 29 C LIG 1 -2.261 1.120 0.552 0.00 0.00 +0.038 C ATOM 30 C LIG 1 -1.222 0.055 0.145 0.00 0.00 +0.057 C ATOM 31 C LIG 1 -1.843 -1.033 -0.760 0.00 0.00 +0.038 C ATOM 32 C LIG 1 -3.363 -1.097 -0.635 0.00 0.00 +0.112 C ATOM 33 O LIG 1 -5.749 -0.775 -2.068 0.00 0.00 -0.226 OA BRANCH 26 34 ATOM 34 O LIG 1 -5.459 1.492 -2.062 0.00 0.00 -0.445 OA BRANCH 34 36 ATOM 35 C LIG 1 -6.359 1.202 -4.324 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -6.602 1.764 -2.918 0.00 0.00 +0.107 C ATOM 37 C LIG 1 -6.662 3.296 -2.999 0.00 0.00 +0.055 C ATOM 38 C LIG 1 -7.918 1.265 -2.303 0.00 0.00 +0.055 C ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 24 30 ENDBRANCH 1 24 TORSDOF 6