REMARK Name = BDB035041 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.307 -1.313 -0.304 0.00 0.00 +0.249 C ATOM 2 N LIG 1 -0.736 -0.538 -0.798 0.00 0.00 -0.283 N ATOM 3 O LIG 1 0.273 -2.533 -0.174 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 4 C LIG 1 7.188 2.302 0.947 0.00 0.00 +0.047 C ATOM 5 C LIG 1 5.924 1.647 0.479 0.00 0.00 -0.009 A ATOM 6 C LIG 1 5.564 1.612 -0.865 0.00 0.00 +0.120 A ATOM 7 N LIG 1 4.424 1.052 -1.302 0.00 0.00 -0.231 NA ATOM 8 C LIG 1 3.607 0.485 -0.395 0.00 0.00 +0.092 A ATOM 9 C LIG 1 3.877 0.449 0.991 0.00 0.00 +0.090 A ATOM 10 N LIG 1 3.058 -0.124 1.900 0.00 0.00 -0.253 NA ATOM 11 C LIG 1 1.921 -0.691 1.440 0.00 0.00 +0.124 A ATOM 12 C LIG 1 1.557 -0.668 0.107 0.00 0.00 +0.057 A ATOM 13 C LIG 1 2.425 -0.097 -0.820 0.00 0.00 +0.044 A ATOM 14 C LIG 1 5.056 1.045 1.399 0.00 0.00 +0.036 A BRANCH 6 15 ATOM 15 N LIG 1 6.356 2.196 -1.849 0.00 0.00 -0.343 N ATOM 16 H LIG 1 5.911 2.007 -2.744 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 7.307 1.848 -1.824 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -1.970 -1.204 -1.291 0.00 0.00 +0.127 C ATOM 19 C LIG 1 -2.623 -2.118 -0.265 0.00 0.00 +0.083 A ATOM 20 C LIG 1 -2.893 -3.461 -0.551 0.00 0.00 +0.064 A ATOM 21 N LIG 1 -3.514 -4.274 0.345 0.00 0.00 -0.257 NA ATOM 22 C LIG 1 -3.821 -3.718 1.536 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.549 -2.396 1.827 0.00 0.00 +0.131 A ATOM 24 C LIG 1 -2.587 -4.065 -1.891 0.00 0.00 +0.057 C ATOM 25 C LIG 1 -1.492 -3.329 -2.653 0.00 0.00 +0.008 C ATOM 26 N LIG 1 -2.957 -1.568 0.940 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 -1.770 -1.832 -2.685 0.00 0.00 +0.029 C ENDBRANCH 2 18 BRANCH 2 28 ATOM 28 C LIG 1 -0.718 0.933 -0.876 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -1.757 1.616 -0.009 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -2.712 2.341 -0.645 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -3.652 2.944 0.119 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -3.688 2.879 1.503 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -2.694 2.131 2.138 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -1.715 1.495 1.378 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -4.787 3.557 2.258 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -4.459 3.834 3.551 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -5.153 4.748 1.707 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -5.921 2.807 2.313 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 6