REMARK Name = BDB004766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.867 0.549 1.197 0.00 0.00 +0.103 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.121 1.017 0.136 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.448 0.541 0.170 0.00 0.00 +0.028 A ATOM 4 C LIG 1 2.397 0.929 -0.788 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.010 1.805 -1.799 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.699 2.284 -1.853 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -0.237 1.892 -0.896 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 3.697 0.395 -0.655 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.832 -0.224 0.136 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 4.791 0.618 -1.472 0.00 0.00 +0.251 C ATOM 11 O LIG 1 4.809 1.331 -2.470 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.061 -0.082 -1.096 0.00 0.00 +0.072 A ATOM 13 C LIG 1 6.174 -0.924 0.015 0.00 0.00 +0.138 A ATOM 14 F LIG 1 5.122 -1.151 0.819 0.00 0.00 -0.205 F ATOM 15 C LIG 1 7.375 -1.556 0.327 0.00 0.00 +0.077 A ATOM 16 C LIG 1 8.481 -1.344 -0.484 0.00 0.00 +0.126 A ATOM 17 F LIG 1 9.639 -1.950 -0.190 0.00 0.00 -0.205 F ATOM 18 C LIG 1 8.404 -0.514 -1.596 0.00 0.00 +0.039 A ATOM 19 C LIG 1 7.196 0.117 -1.902 0.00 0.00 +0.019 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -1.363 -0.808 0.899 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -0.579 -1.427 0.713 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -2.320 -1.034 -0.108 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -2.782 -2.350 -0.333 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -3.716 -2.528 -1.373 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -4.175 -3.839 -1.624 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -3.729 -4.931 -0.855 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -2.826 -4.744 0.179 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -4.147 -1.467 -2.091 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -3.670 -0.260 -1.769 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -2.358 -3.464 0.437 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -2.785 0.004 -0.811 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -5.154 -4.173 -2.707 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -5.523 -5.326 -2.907 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -5.635 -3.162 -3.484 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -5.334 -2.203 -3.336 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -6.289 -3.377 -4.223 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.983 1.519 1.641 0.00 0.00 +0.042 C BRANCH 37 38 ATOM 38 C LIG 1 -1.413 2.734 2.394 0.00 0.00 +0.086 C BRANCH 38 40 ATOM 39 C LIG 1 -3.386 3.228 3.746 0.00 0.00 +0.104 C ATOM 40 N LIG 1 -2.438 3.733 2.750 0.00 0.00 -0.308 NA ATOM 41 C LIG 1 -1.797 4.951 3.254 0.00 0.00 +0.104 C ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 9