REMARK Name = BDB001488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.115 0.300 -0.281 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -4.870 -0.269 -0.693 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -4.490 -1.426 -1.608 0.00 0.00 -0.001 C ATOM 4 C LIG 1 -2.952 -1.346 -1.968 0.00 0.00 +0.050 C ATOM 5 C LIG 1 -2.048 -0.811 -0.893 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -2.495 0.098 0.043 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -1.722 0.664 0.984 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 -0.426 0.314 0.989 0.00 0.00 +0.220 A ATOM 9 N LIG 1 0.107 -0.548 0.108 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -0.708 -1.089 -0.818 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -4.762 -2.765 -0.895 0.00 0.00 +0.016 C ATOM 12 C LIG 1 -5.239 -1.398 -2.954 0.00 0.00 +0.016 C ATOM 13 C LIG 1 -3.910 0.418 0.040 0.00 0.00 +0.092 A ATOM 14 N LIG 1 -4.573 1.383 0.736 0.00 0.00 -0.264 N ATOM 15 C LIG 1 -4.018 2.388 1.612 0.00 0.00 +0.173 C ATOM 16 N LIG 1 -5.905 1.353 0.544 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 20 ATOM 17 C LIG 1 -9.846 0.657 -0.349 0.00 0.00 +0.128 C ATOM 18 N LIG 1 -8.439 0.776 -0.092 0.00 0.00 -0.313 N ATOM 19 H LIG 1 -8.054 1.592 0.379 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -7.502 -0.097 -0.602 0.00 0.00 +0.264 C ATOM 21 O LIG 1 -7.802 -1.100 -1.241 0.00 0.00 -0.268 OA ENDBRANCH 1 20 BRANCH 8 22 ATOM 22 N LIG 1 0.337 0.919 1.983 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -0.260 1.508 2.543 0.00 0.00 +0.155 HD BRANCH 22 24 ATOM 24 C LIG 1 1.680 0.841 2.369 0.00 0.00 +0.034 A ATOM 25 C LIG 1 2.632 0.038 1.730 0.00 0.00 +0.028 A ATOM 26 C LIG 1 3.974 0.005 2.152 0.00 0.00 -0.032 A ATOM 27 C LIG 1 4.366 0.795 3.239 0.00 0.00 +0.005 A ATOM 28 C LIG 1 3.438 1.603 3.886 0.00 0.00 +0.002 A ATOM 29 C LIG 1 2.110 1.624 3.453 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 4.977 -0.882 1.445 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 6.110 -0.138 0.871 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 7.159 -1.071 0.417 0.00 0.00 +0.100 C ATOM 33 C LIG 1 8.344 -0.347 -0.264 0.00 0.00 +0.099 C ATOM 34 N LIG 1 7.971 0.546 -1.378 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 7.593 -0.206 -2.572 0.00 0.00 +0.105 C ATOM 36 C LIG 1 6.882 1.438 -0.930 0.00 0.00 +0.099 C ATOM 37 C LIG 1 5.687 0.726 -0.250 0.00 0.00 +0.100 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 22 24 ENDBRANCH 8 22 TORSDOF 5