REMARK Name = BDB027120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.768 -0.427 0.767 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.576 -0.127 1.951 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.191 1.393 -0.269 0.00 0.00 +0.039 A ATOM 4 C LIG 1 2.590 0.787 -1.384 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.291 0.280 -1.227 0.00 0.00 +0.048 A ATOM 6 C LIG 1 0.585 0.356 -0.025 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.697 -0.264 -0.229 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.718 -0.683 -1.549 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.208 0.986 1.075 0.00 0.00 +0.011 A ATOM 10 N LIG 1 0.474 -0.347 -2.136 0.00 0.00 -0.360 N ATOM 11 H LIG 1 0.723 -0.536 -3.098 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 2.501 1.505 0.940 0.00 0.00 +0.014 A BRANCH 3 15 ATOM 13 N LIG 1 5.457 1.270 -1.148 0.00 0.00 -0.306 N ATOM 14 H LIG 1 5.171 0.372 -1.516 0.00 0.00 +0.149 HD ATOM 15 C LIG 1 4.565 1.957 -0.348 0.00 0.00 +0.244 C ATOM 16 O LIG 1 4.866 2.951 0.300 0.00 0.00 -0.270 OA BRANCH 13 19 ATOM 17 N LIG 1 8.822 1.128 -0.805 0.00 0.00 -0.299 NA ATOM 18 C LIG 1 7.719 1.690 0.004 0.00 0.00 +0.108 C ATOM 19 C LIG 1 6.864 1.709 -1.292 0.00 0.00 +0.101 C ATOM 20 C LIG 1 7.845 0.608 -1.778 0.00 0.00 +0.108 C BRANCH 17 22 ATOM 21 C LIG 1 8.930 -1.094 0.533 0.00 0.00 +0.020 C ATOM 22 C LIG 1 9.613 0.108 -0.119 0.00 0.00 +0.081 C ENDBRANCH 17 22 ENDBRANCH 13 19 ENDBRANCH 3 15 ENDBRANCH 1 7 BRANCH 1 23 ATOM 23 C LIG 1 -3.138 -1.018 0.313 0.00 0.00 +0.156 C BRANCH 23 24 ATOM 24 C LIG 1 -3.104 -2.540 0.361 0.00 0.00 -0.023 A ATOM 25 C LIG 1 -3.454 -3.287 -0.776 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -3.436 -4.682 -0.744 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.070 -5.349 0.422 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -2.725 -4.623 1.560 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.744 -3.228 1.532 0.00 0.00 +0.005 A ENDBRANCH 23 24 BRANCH 23 30 ATOM 30 N LIG 1 -4.208 -0.425 1.155 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 -3.969 -0.602 2.133 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.571 -0.882 0.877 0.00 0.00 +0.086 C BRANCH 32 33 ATOM 33 C LIG 1 -6.147 -0.459 -0.485 0.00 0.00 +0.050 C BRANCH 33 34 ATOM 34 C LIG 1 -6.476 1.014 -0.578 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -5.481 1.952 -0.884 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.787 3.313 -0.959 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -7.093 3.752 -0.727 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -8.090 2.824 -0.417 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -7.782 1.463 -0.340 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -7.409 5.148 -0.807 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -7.669 6.277 -0.877 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 23 30 ENDBRANCH 1 23 TORSDOF 11