REMARK Name = BDB064650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.361 0.091 -1.587 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.020 -0.720 -0.526 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -0.767 -1.161 0.004 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 0.466 0.779 -2.182 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.874 0.490 0.055 0.00 0.00 +0.224 C ATOM 6 N LIG 1 -2.925 -0.228 -1.144 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -1.803 -0.103 -2.089 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -2.277 0.912 -3.118 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.712 0.449 -3.328 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -4.155 -0.032 -1.931 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.062 1.402 0.227 0.00 0.00 -0.275 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.737 -0.640 -4.251 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -3.470 -0.293 -5.120 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.824 0.057 1.199 0.00 0.00 +0.111 C BRANCH 14 15 ATOM 15 C LIG 1 -5.212 0.621 1.048 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.562 1.954 1.192 0.00 0.00 +0.112 A ATOM 17 N LIG 1 -6.903 2.038 0.976 0.00 0.00 -0.274 N ATOM 18 C LIG 1 -7.722 3.224 1.023 0.00 0.00 +0.172 C ATOM 19 N LIG 1 -7.465 0.854 0.687 0.00 0.00 -0.180 NA ATOM 20 C LIG 1 -6.446 -0.006 0.754 0.00 0.00 +0.138 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 -4.369 -1.695 2.976 0.00 0.00 +0.008 C ATOM 22 C LIG 1 -3.659 -1.423 1.641 0.00 0.00 -0.001 C ATOM 23 C LIG 1 -4.030 -2.508 0.628 0.00 0.00 +0.008 C ENDBRANCH 14 22 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 24 ATOM 24 C LIG 1 1.261 -0.566 0.159 0.00 0.00 +0.163 C BRANCH 24 25 ATOM 25 C LIG 1 1.057 -1.064 1.601 0.00 0.00 +0.231 C ATOM 26 O LIG 1 0.075 -1.717 1.953 0.00 0.00 -0.274 OA ATOM 27 N LIG 1 2.031 -0.748 2.502 0.00 0.00 -0.328 N ATOM 28 H LIG 1 1.915 -1.052 3.459 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 2.851 -0.204 2.260 0.00 0.00 +0.145 HD ENDBRANCH 24 25 BRANCH 24 30 ATOM 30 C LIG 1 2.367 -1.356 -0.561 0.00 0.00 +0.067 C BRANCH 30 31 ATOM 31 C LIG 1 3.765 -0.907 -0.202 0.00 0.00 -0.045 A ATOM 32 C LIG 1 4.611 -1.728 0.550 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.895 -1.294 0.897 0.00 0.00 +0.009 A ATOM 34 C LIG 1 6.369 -0.034 0.498 0.00 0.00 -0.018 A ATOM 35 C LIG 1 5.514 0.777 -0.265 0.00 0.00 +0.009 A ATOM 36 C LIG 1 4.231 0.347 -0.614 0.00 0.00 +0.004 A BRANCH 34 37 ATOM 37 C LIG 1 7.721 0.420 0.865 0.00 0.00 -0.018 A ATOM 38 C LIG 1 8.849 -0.372 0.596 0.00 0.00 +0.008 A ATOM 39 C LIG 1 10.133 0.058 0.944 0.00 0.00 +0.001 A ATOM 40 C LIG 1 10.309 1.289 1.571 0.00 0.00 +0.000 A ATOM 41 C LIG 1 9.205 2.091 1.847 0.00 0.00 +0.001 A ATOM 42 C LIG 1 7.922 1.659 1.496 0.00 0.00 +0.008 A ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 24 30 ENDBRANCH 2 24 TORSDOF 10