REMARK Name = BDB050769 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.682 -0.287 0.036 0.00 0.00 +0.032 A ATOM 2 C LIG 1 0.627 -0.034 -0.412 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.712 0.004 0.480 0.00 0.00 +0.019 A ATOM 4 C LIG 1 1.464 -0.213 1.841 0.00 0.00 +0.011 A ATOM 5 C LIG 1 0.167 -0.429 2.305 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.901 -0.448 1.408 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 3.087 0.259 0.038 0.00 0.00 +0.139 A ATOM 8 N LIG 1 3.429 0.815 -1.173 0.00 0.00 -0.338 N ATOM 9 H LIG 1 2.780 1.122 -1.880 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 4.794 0.923 -1.247 0.00 0.00 +0.067 A ATOM 11 C LIG 1 5.250 0.400 -0.039 0.00 0.00 +0.102 A ATOM 12 C LIG 1 6.636 0.370 0.198 0.00 0.00 +0.064 A ATOM 13 C LIG 1 7.510 0.869 -0.788 0.00 0.00 +0.015 A ATOM 14 C LIG 1 7.013 1.387 -1.986 0.00 0.00 +0.003 A ATOM 15 C LIG 1 5.638 1.425 -2.241 0.00 0.00 +0.028 A ATOM 16 N LIG 1 4.180 0.025 0.741 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 7.173 -0.192 1.452 0.00 0.00 +0.244 C ATOM 18 O LIG 1 6.781 -1.244 1.935 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 8.167 0.534 2.054 0.00 0.00 -0.325 N ATOM 20 H LIG 1 8.426 0.223 2.982 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.306 1.510 1.833 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 N LIG 1 -1.741 -0.256 -0.911 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -1.432 -0.666 -1.789 0.00 0.00 +0.152 HD BRANCH 22 37 ATOM 24 C LIG 1 -4.256 4.042 0.739 0.00 0.00 +0.044 C ATOM 25 C LIG 1 -4.623 2.602 0.541 0.00 0.00 -0.050 A ATOM 26 C LIG 1 -3.682 1.687 0.059 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.011 0.325 -0.160 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -5.322 -0.106 0.098 0.00 0.00 +0.073 A ATOM 29 N LIG 1 -5.723 -1.372 -0.087 0.00 0.00 -0.247 NA ATOM 30 C LIG 1 -4.846 -2.290 -0.519 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -3.502 -1.993 -0.810 0.00 0.00 +0.022 A ATOM 32 C LIG 1 -2.649 -3.044 -1.234 0.00 0.00 +0.012 A ATOM 33 C LIG 1 -3.124 -4.346 -1.383 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -4.454 -4.622 -1.108 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.296 -3.594 -0.679 0.00 0.00 +0.028 A ATOM 36 C LIG 1 -6.251 0.816 0.559 0.00 0.00 +0.028 A ATOM 37 C LIG 1 -3.093 -0.643 -0.643 0.00 0.00 +0.050 A ATOM 38 C LIG 1 -5.921 2.157 0.778 0.00 0.00 +0.005 A ENDBRANCH 22 37 ENDBRANCH 1 22 TORSDOF 4