REMARK Name = BDB014028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.571 0.926 0.886 0.00 0.00 +0.160 C ATOM 2 C LIG 1 -0.173 0.775 0.242 0.00 0.00 +0.240 C ATOM 3 O LIG 1 0.692 1.615 0.505 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.066 -0.300 -0.625 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.850 -1.383 -0.812 0.00 0.00 +0.040 A ATOM 6 C LIG 1 -1.543 -1.946 0.278 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -2.486 -2.962 0.056 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -2.734 -3.431 -1.232 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.038 -2.893 -2.309 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -1.254 -1.501 1.685 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.102 -1.878 -2.101 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -1.821 -0.119 1.980 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.881 1.470 0.132 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.629 0.960 -0.127 0.00 0.00 -0.303 N ATOM 15 H LIG 1 -2.467 0.488 -1.007 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -4.187 1.982 1.207 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.862 1.355 -1.055 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -4.595 2.497 -2.031 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -6.684 0.195 0.057 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -6.264 1.433 -0.592 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -6.309 2.186 0.102 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 1.375 -0.356 -1.312 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 2.508 -0.918 -0.449 0.00 0.00 +0.020 A ATOM 24 C LIG 1 3.515 -0.077 0.136 0.00 0.00 -0.009 A ATOM 25 C LIG 1 4.493 -0.671 0.977 0.00 0.00 -0.017 A ATOM 26 C LIG 1 5.489 0.110 1.587 0.00 0.00 +0.009 A ATOM 27 C LIG 1 5.561 1.484 1.373 0.00 0.00 +0.015 A ATOM 28 C LIG 1 4.631 2.098 0.539 0.00 0.00 +0.060 A ATOM 29 C LIG 1 4.483 -2.049 1.202 0.00 0.00 +0.012 A ATOM 30 C LIG 1 3.536 -2.867 0.596 0.00 0.00 +0.046 A ATOM 31 C LIG 1 3.630 1.323 -0.068 0.00 0.00 +0.024 A ATOM 32 C LIG 1 2.555 -2.316 -0.227 0.00 0.00 +0.125 A BRANCH 28 33 ATOM 33 C LIG 1 4.671 3.556 0.244 0.00 0.00 +0.339 C ATOM 34 O LIG 1 4.059 4.081 -0.672 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 5.473 4.197 1.133 0.00 0.00 -0.464 OA ATOM 36 C LIG 1 5.546 5.609 0.930 0.00 0.00 +0.280 C ENDBRANCH 33 35 ENDBRANCH 28 33 BRANCH 32 37 ATOM 37 O LIG 1 1.642 -3.079 -0.908 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 1.380 -4.385 -0.406 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8