REMARK Name = BDB019963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.504 -0.827 -1.888 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.725 -2.095 -1.339 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.806 -2.328 -0.475 0.00 0.00 -0.032 A ATOM 4 C LIG 1 -2.662 -1.244 -0.200 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -2.468 0.029 -0.769 0.00 0.00 -0.027 A ATOM 6 C LIG 1 -1.376 0.228 -1.620 0.00 0.00 +0.018 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 1.908 -0.891 -2.351 0.00 0.00 -0.303 N ATOM 8 H LIG 1 2.599 -0.526 -2.995 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 0.642 -0.590 -2.786 0.00 0.00 +0.245 C ATOM 10 O LIG 1 0.441 -0.135 -3.907 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 2.351 -0.867 -0.959 0.00 0.00 +0.125 C BRANCH 11 18 ATOM 12 C LIG 1 1.833 2.976 2.286 0.00 0.00 +0.047 C ATOM 13 C LIG 1 2.383 2.399 1.020 0.00 0.00 -0.012 A ATOM 14 C LIG 1 3.236 3.143 0.212 0.00 0.00 +0.144 A ATOM 15 F LIG 1 3.562 4.401 0.539 0.00 0.00 -0.204 F ATOM 16 C LIG 1 3.755 2.567 -0.934 0.00 0.00 +0.149 A ATOM 17 N LIG 1 3.493 1.297 -1.323 0.00 0.00 -0.255 NA ATOM 18 C LIG 1 2.663 0.565 -0.528 0.00 0.00 +0.062 A ATOM 19 C LIG 1 2.099 1.082 0.644 0.00 0.00 +0.031 A ENDBRANCH 11 18 BRANCH 11 20 ATOM 20 C LIG 1 3.563 -1.743 -0.733 0.00 0.00 +0.015 C ATOM 21 C LIG 1 4.679 -1.914 -1.739 0.00 0.00 +0.006 C ATOM 22 C LIG 1 3.742 -3.058 -1.460 0.00 0.00 +0.006 C ENDBRANCH 11 20 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 23 ATOM 23 C LIG 1 -2.026 -3.695 0.166 0.00 0.00 +0.091 C ATOM 24 C LIG 1 -2.137 -4.906 -0.757 0.00 0.00 +0.021 C ATOM 25 C LIG 1 -3.365 -4.386 -0.074 0.00 0.00 +0.021 C BRANCH 23 26 ATOM 26 C LIG 1 -1.355 -3.870 1.514 0.00 0.00 +0.399 C ATOM 27 F LIG 1 -1.853 -2.993 2.418 0.00 0.00 -0.170 F ATOM 28 F LIG 1 -0.020 -3.663 1.423 0.00 0.00 -0.170 F ATOM 29 F LIG 1 -1.543 -5.117 2.011 0.00 0.00 -0.170 F ENDBRANCH 23 26 ENDBRANCH 3 23 BRANCH 5 30 ATOM 30 C LIG 1 -3.404 1.170 -0.442 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -2.845 2.022 0.585 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -2.208 3.251 0.370 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -1.970 3.881 -0.723 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -2.311 3.348 -1.521 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -1.878 3.694 1.655 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -1.362 5.015 1.918 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -2.335 2.791 2.600 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -2.909 1.769 1.953 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8