REMARK Name = BDB049538 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.820 3.510 -0.307 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.599 3.010 0.098 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.548 2.312 1.389 0.00 0.00 +0.127 C ATOM 4 C LIG 1 0.656 0.786 1.185 0.00 0.00 +0.124 C ATOM 5 N LIG 1 -0.372 0.301 0.231 0.00 0.00 -0.327 N ATOM 6 C LIG 1 -0.340 1.028 -1.068 0.00 0.00 +0.124 C ATOM 7 C LIG 1 -0.447 2.555 -0.836 0.00 0.00 +0.127 C ATOM 8 O LIG 1 2.844 3.501 0.373 0.00 0.00 -0.271 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.619 -0.133 0.682 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -2.468 -0.854 -0.174 0.00 0.00 +0.024 A ATOM 11 C LIG 1 -3.726 -1.317 0.236 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -4.188 -1.092 1.536 0.00 0.00 -0.018 A ATOM 13 C LIG 1 -3.341 -0.398 2.408 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -2.083 0.063 1.989 0.00 0.00 +0.024 A BRANCH 12 15 ATOM 15 C LIG 1 -5.506 -1.575 1.974 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -6.673 -1.225 1.275 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -7.926 -1.684 1.689 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -8.033 -2.504 2.810 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.888 -2.863 3.517 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.636 -2.402 3.101 0.00 0.00 +0.008 A ENDBRANCH 12 15 ENDBRANCH 5 9 BRANCH 1 22 ATOM 21 C LIG 1 2.486 3.455 -2.685 0.00 0.00 +0.072 C ATOM 22 C LIG 1 1.891 4.085 -1.664 0.00 0.00 +0.072 C BRANCH 21 25 ATOM 23 N LIG 1 3.849 1.804 -1.569 0.00 0.00 -0.282 N ATOM 24 H LIG 1 3.944 2.535 -0.865 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 3.079 2.090 -2.667 0.00 0.00 +0.241 C ATOM 26 O LIG 1 2.851 1.369 -3.630 0.00 0.00 -0.270 OA BRANCH 23 29 ATOM 27 C LIG 1 5.098 -1.730 -1.654 0.00 0.00 +0.038 A ATOM 28 C LIG 1 4.456 -0.551 -2.065 0.00 0.00 +0.036 A ATOM 29 C LIG 1 4.485 0.586 -1.255 0.00 0.00 +0.034 A ATOM 30 C LIG 1 5.174 0.534 -0.035 0.00 0.00 +0.023 A ATOM 31 C LIG 1 5.829 -0.630 0.370 0.00 0.00 +0.003 A ATOM 32 C LIG 1 5.793 -1.764 -0.439 0.00 0.00 +0.013 A BRANCH 27 36 ATOM 33 N LIG 1 5.154 -4.148 -1.951 0.00 0.00 -0.325 N ATOM 34 H LIG 1 4.962 -4.937 -2.556 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 4.980 -4.273 -0.964 0.00 0.00 +0.145 HD ATOM 36 C LIG 1 5.039 -2.920 -2.544 0.00 0.00 +0.242 C ATOM 37 O LIG 1 4.861 -2.824 -3.751 0.00 0.00 -0.270 OA ENDBRANCH 27 36 ENDBRANCH 23 29 ENDBRANCH 21 25 ENDBRANCH 1 22 TORSDOF 6