REMARK Name = BDB048534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.532 -1.217 0.277 0.00 0.00 +0.051 A ATOM 2 C LIG 1 0.417 -0.175 0.163 0.00 0.00 +0.055 A ATOM 3 C LIG 1 1.781 -0.467 0.078 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.239 -1.796 0.091 0.00 0.00 -0.016 A ATOM 5 C LIG 1 1.286 -2.824 0.190 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.080 -2.541 0.282 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.923 -1.512 -0.079 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -4.669 -2.075 0.417 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.091 -1.210 1.471 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -2.558 -1.348 1.596 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -1.908 -0.874 0.350 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.648 -1.213 -0.895 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -3.704 -2.321 -0.677 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 3.678 -2.103 -0.005 0.00 0.00 -0.018 A ATOM 15 C LIG 1 4.296 -2.988 0.891 0.00 0.00 +0.010 A ATOM 16 C LIG 1 5.663 -3.279 0.795 0.00 0.00 +0.023 A ATOM 17 C LIG 1 6.457 -2.662 -0.171 0.00 0.00 +0.025 A ATOM 18 C LIG 1 5.841 -1.828 -1.103 0.00 0.00 +0.023 A ATOM 19 C LIG 1 4.475 -1.534 -1.009 0.00 0.00 +0.010 A BRANCH 17 20 ATOM 20 N LIG 1 7.794 -3.043 -0.337 0.00 0.00 -0.358 N ATOM 21 H LIG 1 8.356 -2.349 -0.820 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 8.234 -3.365 0.519 0.00 0.00 +0.142 HD ENDBRANCH 17 20 ENDBRANCH 4 14 BRANCH 2 23 ATOM 23 N LIG 1 -0.116 1.131 0.154 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -1.130 1.116 0.226 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 0.540 2.325 -0.038 0.00 0.00 +0.248 C ATOM 26 O LIG 1 1.728 2.477 -0.297 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -0.326 3.535 0.052 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -0.018 4.635 -0.765 0.00 0.00 +0.038 A ATOM 29 C LIG 1 -0.777 5.805 -0.701 0.00 0.00 +0.061 A ATOM 30 C LIG 1 -1.899 5.822 0.141 0.00 0.00 +0.144 A ATOM 31 F LIG 1 -2.683 6.910 0.177 0.00 0.00 -0.204 F ATOM 32 C LIG 1 -2.208 4.746 0.969 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -1.414 3.600 0.935 0.00 0.00 +0.016 A BRANCH 29 34 ATOM 34 N LIG 1 -0.546 6.846 -1.615 0.00 0.00 -0.356 N ATOM 35 H LIG 1 0.425 6.944 -1.897 0.00 0.00 +0.142 HD ATOM 36 H LIG 1 -0.963 7.727 -1.320 0.00 0.00 +0.142 HD ENDBRANCH 29 34 ENDBRANCH 25 27 ENDBRANCH 2 23 TORSDOF 6