REMARK Name = BDB055202 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.046 -0.659 -0.296 0.00 0.00 +0.136 C ATOM 2 N LIG 1 -0.852 0.469 -0.454 0.00 0.00 -0.230 N ATOM 3 C LIG 1 -0.413 1.492 -1.261 0.00 0.00 +0.311 C ATOM 4 N LIG 1 0.298 2.498 -0.617 0.00 0.00 -0.275 N ATOM 5 C LIG 1 0.763 3.599 -1.470 0.00 0.00 +0.205 C ATOM 6 C LIG 1 1.451 4.791 -0.779 0.00 0.00 +0.231 C ATOM 7 O LIG 1 1.891 5.752 -1.405 0.00 0.00 -0.274 OA ATOM 8 N LIG 1 1.540 4.774 0.589 0.00 0.00 -0.313 N ATOM 9 H LIG 1 2.071 5.536 0.989 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 1.246 3.592 1.367 0.00 0.00 +0.123 C ATOM 11 C LIG 1 0.069 2.814 0.792 0.00 0.00 +0.128 C ATOM 12 O LIG 1 -0.668 1.528 -2.465 0.00 0.00 -0.252 OA ATOM 13 C LIG 1 -2.182 -0.050 -0.666 0.00 0.00 +0.145 C ATOM 14 C LIG 1 -1.907 -1.498 -1.118 0.00 0.00 +0.163 C ATOM 15 N LIG 1 -0.589 -1.827 -0.481 0.00 0.00 -0.258 NA ENDROOT BRANCH 13 16 ATOM 16 C LIG 1 -2.888 0.141 0.664 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -3.679 1.288 1.039 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -4.128 1.082 2.344 0.00 0.00 +0.047 A ATOM 19 C LIG 1 -4.929 1.998 3.027 0.00 0.00 +0.026 A ATOM 20 C LIG 1 -5.288 3.172 2.356 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.854 3.415 1.056 0.00 0.00 +0.001 A ATOM 22 N LIG 1 -3.621 -0.128 2.763 0.00 0.00 -0.360 N ATOM 23 H LIG 1 -3.785 -0.535 3.675 0.00 0.00 +0.165 HD ATOM 24 C LIG 1 -4.050 2.485 0.386 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -2.873 -0.697 1.767 0.00 0.00 +0.089 A ENDBRANCH 13 16 BRANCH 1 27 ATOM 26 C LIG 1 2.387 -0.260 -0.717 0.00 0.00 +0.132 A ATOM 27 C LIG 1 1.338 -0.512 0.172 0.00 0.00 +0.057 A ATOM 28 C LIG 1 1.588 -0.685 1.539 0.00 0.00 +0.015 A ATOM 29 C LIG 1 2.889 -0.549 2.032 0.00 0.00 +0.012 A ATOM 30 C LIG 1 3.936 -0.233 1.154 0.00 0.00 +0.021 A ATOM 31 C LIG 1 3.676 -0.091 -0.221 0.00 0.00 +0.057 A BRANCH 30 32 ATOM 32 C LIG 1 5.339 -0.053 1.624 0.00 0.00 +0.172 C ATOM 33 O LIG 1 6.249 -0.186 0.806 0.00 0.00 -0.292 OA BRANCH 32 34 ATOM 34 C LIG 1 5.590 0.267 3.082 0.00 0.00 +0.175 C BRANCH 34 35 ATOM 35 C LIG 1 6.841 1.051 3.392 0.00 0.00 +0.218 C ATOM 36 O LIG 1 6.927 1.789 4.371 0.00 0.00 -0.276 OA ATOM 37 N LIG 1 7.918 0.864 2.587 0.00 0.00 -0.329 N ATOM 38 H LIG 1 7.788 0.483 1.648 0.00 0.00 +0.145 HD ATOM 39 H LIG 1 8.733 1.444 2.740 0.00 0.00 +0.145 HD ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 30 32 BRANCH 26 40 ATOM 40 O LIG 1 2.125 -0.064 -2.039 0.00 0.00 -0.486 OA BRANCH 40 42 ATOM 41 C LIG 1 1.456 -1.006 -4.095 0.00 0.00 +0.055 C ATOM 42 C LIG 1 2.506 -1.100 -2.976 0.00 0.00 +0.102 C ATOM 43 C LIG 1 2.493 -2.536 -2.424 0.00 0.00 +0.055 C ATOM 44 C LIG 1 3.881 -0.773 -3.573 0.00 0.00 +0.055 C ENDBRANCH 40 42 ENDBRANCH 26 40 ENDBRANCH 1 27 BRANCH 14 45 ATOM 45 C LIG 1 -2.984 -2.551 -0.922 0.00 0.00 -0.021 A ATOM 46 C LIG 1 -2.630 -3.885 -0.661 0.00 0.00 +0.006 A ATOM 47 C LIG 1 -3.608 -4.871 -0.509 0.00 0.00 +0.015 A ATOM 48 C LIG 1 -4.956 -4.529 -0.603 0.00 0.00 +0.059 A ATOM 49 C LIG 1 -5.328 -3.218 -0.910 0.00 0.00 +0.015 A ATOM 50 C LIG 1 -4.343 -2.240 -1.081 0.00 0.00 +0.006 A BRANCH 48 51 ATOM 51 C LIG 1 -5.968 -5.589 -0.425 0.00 0.00 +0.337 C ATOM 52 O LIG 1 -5.871 -6.694 -0.918 0.00 0.00 -0.245 OA BRANCH 51 53 ATOM 53 O LIG 1 -6.987 -5.204 0.369 0.00 0.00 -0.477 OA ATOM 54 H LIG 1 -6.831 -4.362 0.823 0.00 0.00 +0.295 HD ENDBRANCH 51 53 ENDBRANCH 48 51 ENDBRANCH 14 45 TORSDOF 10