REMARK Name = BDB047733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.038 -1.846 -0.977 0.00 0.00 -0.297 N ATOM 2 H LIG 1 -0.188 -1.685 -1.958 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -0.828 -1.247 -0.081 0.00 0.00 +0.285 C ATOM 4 O LIG 1 -0.577 -1.078 1.103 0.00 0.00 -0.267 OA ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 -2.119 -0.716 -0.733 0.00 0.00 +0.250 C ATOM 6 O LIG 1 -2.130 -0.687 -1.964 0.00 0.00 -0.282 OA BRANCH 5 7 ATOM 7 C LIG 1 -3.242 -0.273 0.081 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -3.817 -0.938 1.215 0.00 0.00 +0.011 A ATOM 9 C LIG 1 -4.874 -0.151 1.667 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -5.675 -0.503 2.759 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -5.387 -1.702 3.415 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -4.341 -2.514 2.991 0.00 0.00 +0.001 A ATOM 13 N LIG 1 -4.931 0.953 0.854 0.00 0.00 -0.354 N ATOM 14 H LIG 1 -5.604 1.700 0.949 0.00 0.00 +0.166 HD ATOM 15 C LIG 1 -3.552 -2.147 1.895 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -3.957 0.905 -0.115 0.00 0.00 +0.059 A BRANCH 16 17 ATOM 17 C LIG 1 -3.791 1.993 -1.073 0.00 0.00 -0.001 A ATOM 18 C LIG 1 -3.982 1.776 -2.442 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -3.822 2.823 -3.352 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.471 4.093 -2.901 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.282 4.320 -1.538 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -3.444 3.275 -0.627 0.00 0.00 +0.010 A ENDBRANCH 16 17 ENDBRANCH 5 7 ENDBRANCH 3 5 BRANCH 1 23 ATOM 23 C LIG 1 1.429 -2.133 -0.621 0.00 0.00 +0.159 C BRANCH 23 26 ATOM 24 N LIG 1 1.870 0.180 0.069 0.00 0.00 -0.301 N ATOM 25 H LIG 1 1.348 -0.103 0.897 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.237 -0.824 -0.807 0.00 0.00 +0.234 C ATOM 27 O LIG 1 3.110 -0.672 -1.656 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 2.602 1.447 0.132 0.00 0.00 +0.184 C BRANCH 28 29 ATOM 29 C LIG 1 1.705 2.567 0.705 0.00 0.00 +0.014 C ATOM 30 C LIG 1 2.425 3.920 0.735 0.00 0.00 +0.009 C ATOM 31 C LIG 1 0.410 2.716 -0.102 0.00 0.00 +0.009 C ENDBRANCH 28 29 BRANCH 28 32 ATOM 32 C LIG 1 3.833 1.210 1.020 0.00 0.00 +0.328 C ATOM 33 O LIG 1 3.861 0.454 1.986 0.00 0.00 -0.249 OA BRANCH 32 35 ATOM 34 C LIG 1 6.073 1.808 1.364 0.00 0.00 +0.280 C ATOM 35 O LIG 1 4.879 1.978 0.599 0.00 0.00 -0.467 OA ENDBRANCH 32 35 ENDBRANCH 28 32 ENDBRANCH 24 28 ENDBRANCH 23 26 BRANCH 23 36 ATOM 36 C LIG 1 1.956 -3.284 -1.489 0.00 0.00 +0.034 C BRANCH 36 37 ATOM 37 C LIG 1 3.330 -3.844 -1.062 0.00 0.00 -0.015 C ATOM 38 C LIG 1 3.801 -4.883 -2.085 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.298 -4.473 0.333 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 23 36 ENDBRANCH 1 23 TORSDOF 11