REMARK Name = BDB065054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.293 0.972 -2.789 0.00 0.00 +0.162 C ENDROOT BRANCH 1 11 ATOM 2 C LIG 1 3.680 -1.503 -0.508 0.00 0.00 +0.162 A ATOM 3 N LIG 1 2.921 -0.698 -1.276 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 2.265 -1.257 -2.311 0.00 0.00 +0.148 A ATOM 5 C LIG 1 2.371 -2.605 -2.613 0.00 0.00 +0.036 A ATOM 6 C LIG 1 1.666 -3.185 -3.744 0.00 0.00 +0.018 A ATOM 7 C LIG 1 0.901 -2.394 -4.503 0.00 0.00 +0.071 A ATOM 8 C LIG 1 0.751 -0.944 -4.218 0.00 0.00 +0.253 A ATOM 9 O LIG 1 0.029 -0.282 -4.961 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 3.184 -3.340 -1.778 0.00 0.00 +0.124 A ATOM 11 N LIG 1 1.442 -0.438 -3.131 0.00 0.00 -0.288 N ATOM 12 N LIG 1 3.844 -2.820 -0.727 0.00 0.00 -0.235 NA BRANCH 2 15 ATOM 13 C LIG 1 4.110 -2.897 2.171 0.00 0.00 +0.044 C ATOM 14 C LIG 1 4.619 -1.510 1.868 0.00 0.00 -0.040 A ATOM 15 C LIG 1 4.401 -0.875 0.619 0.00 0.00 +0.022 A ATOM 16 C LIG 1 4.900 0.438 0.460 0.00 0.00 +0.012 A ATOM 17 C LIG 1 5.604 1.092 1.474 0.00 0.00 +0.001 A ATOM 18 C LIG 1 5.829 0.448 2.681 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.344 -0.843 2.876 0.00 0.00 +0.004 A ENDBRANCH 2 15 ENDBRANCH 1 11 BRANCH 1 20 ATOM 20 C LIG 1 0.163 1.220 -1.811 0.00 0.00 -0.028 A ATOM 21 C LIG 1 0.414 1.314 -0.435 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -0.632 1.530 0.465 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -1.950 1.644 0.009 0.00 0.00 +0.017 A ATOM 24 C LIG 1 -2.202 1.569 -1.365 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -1.156 1.351 -2.267 0.00 0.00 +0.006 A BRANCH 23 26 ATOM 26 C LIG 1 -3.030 1.867 0.969 0.00 0.00 +0.142 A ATOM 27 N LIG 1 -4.105 1.025 1.183 0.00 0.00 -0.327 N ATOM 28 C LIG 1 -4.902 1.602 2.139 0.00 0.00 +0.120 A ATOM 29 C LIG 1 -4.262 2.765 2.524 0.00 0.00 +0.162 A ATOM 30 N LIG 1 -3.094 2.899 1.791 0.00 0.00 -0.224 NA BRANCH 29 31 ATOM 31 C LIG 1 -4.696 3.768 3.553 0.00 0.00 +0.436 C ATOM 32 F LIG 1 -5.721 4.541 3.101 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -3.705 4.613 3.938 0.00 0.00 -0.164 F ATOM 34 F LIG 1 -5.149 3.160 4.685 0.00 0.00 -0.164 F ENDBRANCH 29 31 BRANCH 27 35 ATOM 35 C LIG 1 -4.353 -0.270 0.554 0.00 0.00 +0.083 C ATOM 36 C LIG 1 -4.474 -1.394 1.586 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -5.581 -0.220 -0.356 0.00 0.00 +0.030 C ENDBRANCH 27 35 ENDBRANCH 23 26 ENDBRANCH 1 20 TORSDOF 6