REMARK Name = BDB054857 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.564 0.495 0.266 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -1.121 -0.795 0.346 0.00 0.00 -0.263 N ATOM 3 H LIG 1 -1.696 -1.629 0.274 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.198 -0.908 0.573 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.638 0.361 0.640 0.00 0.00 +0.094 A ATOM 6 C LIG 1 -0.446 1.270 0.453 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.053 0.671 0.881 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.552 1.972 0.720 0.00 0.00 +0.010 A ATOM 9 C LIG 1 3.903 2.257 0.957 0.00 0.00 +0.006 A ATOM 10 C LIG 1 4.783 1.249 1.367 0.00 0.00 -0.030 A ATOM 11 C LIG 1 4.292 -0.053 1.519 0.00 0.00 +0.006 A ATOM 12 C LIG 1 2.943 -0.337 1.280 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 6.241 1.543 1.603 0.00 0.00 +0.142 C BRANCH 13 14 ATOM 14 N LIG 1 7.025 1.205 0.444 0.00 0.00 -0.277 N ATOM 15 H LIG 1 6.878 1.703 -0.421 0.00 0.00 +0.152 HD ATOM 16 C LIG 1 7.755 0.062 0.359 0.00 0.00 +0.401 C ATOM 17 O LIG 1 7.931 -0.737 1.264 0.00 0.00 -0.226 OA BRANCH 16 18 ATOM 18 O LIG 1 8.252 -0.049 -0.896 0.00 0.00 -0.446 OA BRANCH 18 19 ATOM 19 C LIG 1 9.051 -1.212 -1.139 0.00 0.00 +0.270 C BRANCH 19 20 ATOM 20 C LIG 1 10.505 -0.868 -0.999 0.00 0.00 +0.008 A ATOM 21 C LIG 1 11.189 -1.123 0.186 0.00 0.00 +0.117 A ATOM 22 N LIG 1 12.496 -0.833 0.383 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 13.149 -0.247 -0.642 0.00 0.00 +0.111 A ATOM 24 C LIG 1 12.558 0.065 -1.855 0.00 0.00 +0.020 A ATOM 25 C LIG 1 11.214 -0.249 -2.032 0.00 0.00 +0.010 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 26 ATOM 26 N LIG 1 -2.860 0.825 0.041 0.00 0.00 -0.285 N ATOM 27 H LIG 1 -3.139 1.787 0.200 0.00 0.00 +0.155 HD BRANCH 26 33 ATOM 28 C LIG 1 -4.660 -3.620 0.589 0.00 0.00 +0.088 C ATOM 29 C LIG 1 -4.855 -2.166 0.294 0.00 0.00 +0.130 A ATOM 30 N LIG 1 -6.090 -1.764 -0.045 0.00 0.00 -0.218 NA ATOM 31 C LIG 1 -6.270 -0.467 -0.336 0.00 0.00 +0.127 A ATOM 32 C LIG 1 -5.202 0.413 -0.312 0.00 0.00 +0.087 A ATOM 33 C LIG 1 -3.959 -0.071 0.057 0.00 0.00 +0.129 A ATOM 34 N LIG 1 -3.774 -1.371 0.344 0.00 0.00 -0.217 NA BRANCH 31 35 ATOM 35 N LIG 1 -7.546 -0.001 -0.719 0.00 0.00 -0.313 N ATOM 36 C LIG 1 -8.521 -1.097 -0.931 0.00 0.00 +0.122 C ATOM 37 C LIG 1 -9.865 -0.530 -1.443 0.00 0.00 +0.103 C ATOM 38 N LIG 1 -10.434 0.491 -0.534 0.00 0.00 -0.302 NA ATOM 39 C LIG 1 -11.677 1.031 -1.079 0.00 0.00 +0.105 C ATOM 40 C LIG 1 -9.439 1.566 -0.331 0.00 0.00 +0.103 C ATOM 41 C LIG 1 -8.082 1.036 0.193 0.00 0.00 +0.122 C ENDBRANCH 31 35 ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 9