REMARK Name = BDB041130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.321 -2.668 -0.203 0.00 0.00 +0.021 A ATOM 2 C LIG 1 -1.904 -1.403 0.193 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -2.779 -0.465 0.596 0.00 0.00 -0.213 NA ATOM 4 C LIG 1 -4.089 -0.768 0.560 0.00 0.00 +0.162 A ATOM 5 N LIG 1 -4.588 -1.958 0.184 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 -3.687 -2.880 -0.190 0.00 0.00 +0.120 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -5.047 0.248 1.031 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -5.062 1.595 0.582 0.00 0.00 -0.034 A ATOM 9 C LIG 1 -5.993 2.494 1.151 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -6.913 2.079 2.113 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -6.926 0.757 2.530 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -6.005 -0.143 1.996 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -4.112 2.107 -0.499 0.00 0.00 +0.014 C ATOM 14 C LIG 1 -4.849 2.814 -1.645 0.00 0.00 +0.012 C ATOM 15 C LIG 1 -3.047 3.026 0.104 0.00 0.00 +0.012 C ENDBRANCH 8 13 ENDBRANCH 4 7 BRANCH 2 16 ATOM 16 N LIG 1 -0.525 -1.111 0.201 0.00 0.00 -0.325 N ATOM 17 H LIG 1 -0.171 -1.279 -0.746 0.00 0.00 +0.148 HD BRANCH 16 18 ATOM 18 C LIG 1 -0.202 0.254 0.600 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 C LIG 1 1.300 0.424 0.551 0.00 0.00 -0.030 A ATOM 20 C LIG 1 2.091 0.064 1.650 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.481 0.206 1.602 0.00 0.00 +0.012 A ATOM 22 C LIG 1 4.108 0.689 0.447 0.00 0.00 +0.017 A ATOM 23 C LIG 1 3.315 1.056 -0.648 0.00 0.00 +0.012 A ATOM 24 C LIG 1 1.925 0.915 -0.602 0.00 0.00 +0.006 A BRANCH 22 25 ATOM 25 C LIG 1 5.562 0.848 0.365 0.00 0.00 +0.141 A ATOM 26 N LIG 1 6.498 -0.115 0.678 0.00 0.00 -0.333 N ATOM 27 C LIG 1 6.243 -1.479 1.076 0.00 0.00 +0.150 C ATOM 28 C LIG 1 7.744 0.416 0.481 0.00 0.00 +0.119 A ATOM 29 C LIG 1 7.538 1.699 0.008 0.00 0.00 +0.162 A ATOM 30 N LIG 1 6.173 1.936 -0.072 0.00 0.00 -0.224 NA BRANCH 29 31 ATOM 31 C LIG 1 8.556 2.729 -0.387 0.00 0.00 +0.436 C ATOM 32 F LIG 1 8.400 3.151 -1.669 0.00 0.00 -0.164 F ATOM 33 F LIG 1 9.827 2.243 -0.296 0.00 0.00 -0.164 F ATOM 34 F LIG 1 8.512 3.832 0.406 0.00 0.00 -0.164 F ENDBRANCH 29 31 ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 2 16 BRANCH 1 35 ATOM 35 C LIG 1 -1.379 -3.779 -0.582 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 C LIG 1 -0.576 -3.517 -1.837 0.00 0.00 +0.311 C ATOM 37 O LIG 1 -0.375 -2.419 -2.341 0.00 0.00 -0.250 OA BRANCH 36 39 ATOM 38 C LIG 1 0.740 -4.551 -3.478 0.00 0.00 +0.280 C ATOM 39 O LIG 1 -0.062 -4.692 -2.304 0.00 0.00 -0.468 OA ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 10