REMARK Name = BDB026965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.337 0.197 1.474 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.458 1.427 1.492 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.600 0.902 -0.588 0.00 0.00 -0.013 A ATOM 4 C LIG 1 3.281 -0.445 -0.346 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.021 -0.745 0.192 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.073 0.233 0.496 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.088 -0.432 1.021 0.00 0.00 +0.044 A ATOM 8 C LIG 1 0.204 -1.786 1.016 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.409 1.579 0.247 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.472 -1.958 0.527 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.944 -2.847 0.428 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.666 1.898 -0.288 0.00 0.00 +0.009 A BRANCH 3 16 ATOM 13 N LIG 1 6.749 1.234 -2.316 0.00 0.00 -0.271 N ATOM 14 N LIG 1 6.832 2.389 -1.630 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 5.702 2.409 -0.917 0.00 0.00 +0.142 A ATOM 16 C LIG 1 4.895 1.268 -1.136 0.00 0.00 +0.020 A ATOM 17 C LIG 1 5.610 0.527 -2.055 0.00 0.00 +0.116 A BRANCH 13 19 ATOM 18 C LIG 1 8.943 0.138 -2.541 0.00 0.00 +0.029 C ATOM 19 C LIG 1 7.806 0.866 -3.237 0.00 0.00 +0.140 C ENDBRANCH 13 19 ENDBRANCH 3 16 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -2.518 -0.710 1.919 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -2.312 -1.251 3.329 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -1.868 -0.429 4.378 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -1.689 -0.948 5.662 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -1.964 -2.289 5.918 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.426 -3.112 4.894 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -2.605 -2.596 3.609 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -3.801 0.036 1.872 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -3.595 1.014 2.100 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -4.496 -0.042 0.585 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -3.834 0.722 -0.572 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -4.672 0.668 -1.828 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -4.466 -0.343 -2.777 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.251 -0.398 -3.931 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.247 0.554 -4.139 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 -7.209 0.488 -5.563 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 -6.467 1.560 -3.200 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -5.682 1.616 -2.046 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 9