REMARK Name = BDB011815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.218 0.893 0.509 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.888 1.609 0.414 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -0.889 2.815 0.119 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.285 0.906 0.671 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.384 -0.417 1.274 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.536 -1.505 1.155 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.156 -2.747 1.731 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.004 -2.926 2.481 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.842 -1.855 2.679 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -1.792 -1.497 0.423 0.00 0.00 -0.267 N ATOM 11 C LIG 1 -2.828 -2.415 0.725 0.00 0.00 +0.221 C ATOM 12 O LIG 1 -2.908 -3.041 1.784 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 1.530 -0.633 2.085 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -2.098 -0.330 -0.386 0.00 0.00 +0.145 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 -4.587 1.602 0.272 0.00 0.00 +0.230 C ATOM 16 N LIG 1 -3.252 1.834 0.056 0.00 0.00 -0.301 N ATOM 17 H LIG 1 -2.921 2.776 -0.135 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -4.995 0.511 0.672 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 -5.544 2.757 -0.125 0.00 0.00 +0.137 C ATOM 20 C LIG 1 -5.159 4.075 0.540 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 -7.915 2.821 -0.673 0.00 0.00 +0.101 C ATOM 22 N LIG 1 -6.916 2.400 0.298 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 -6.956 1.380 0.405 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 4 24 ATOM 24 C LIG 1 1.529 1.661 0.364 0.00 0.00 +0.153 C BRANCH 24 25 ATOM 25 C LIG 1 2.564 0.923 -0.487 0.00 0.00 +0.020 A ATOM 26 C LIG 1 3.931 0.786 -0.067 0.00 0.00 -0.010 A ATOM 27 C LIG 1 4.819 0.033 -0.877 0.00 0.00 -0.017 A ATOM 28 C LIG 1 6.160 -0.158 -0.496 0.00 0.00 +0.023 A ATOM 29 C LIG 1 6.664 0.402 0.680 0.00 0.00 +0.060 A ATOM 30 C LIG 1 5.817 1.167 1.478 0.00 0.00 +0.015 A ATOM 31 C LIG 1 4.369 -0.524 -2.077 0.00 0.00 +0.012 A ATOM 32 C LIG 1 3.063 -0.328 -2.515 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.481 1.358 1.108 0.00 0.00 +0.010 A ATOM 34 C LIG 1 2.164 0.408 -1.745 0.00 0.00 +0.125 A BRANCH 29 35 ATOM 35 C LIG 1 8.075 0.224 1.117 0.00 0.00 +0.339 C ATOM 36 O LIG 1 8.525 0.699 2.148 0.00 0.00 -0.245 OA BRANCH 35 37 ATOM 37 O LIG 1 8.766 -0.524 0.221 0.00 0.00 -0.464 OA ATOM 38 C LIG 1 10.133 -0.738 0.576 0.00 0.00 +0.280 C ENDBRANCH 35 37 ENDBRANCH 29 35 BRANCH 34 39 ATOM 39 O LIG 1 0.880 0.686 -2.138 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 0.510 0.355 -3.471 0.00 0.00 +0.277 C ENDBRANCH 34 39 ENDBRANCH 24 25 ENDBRANCH 4 24 BRANCH 11 41 ATOM 41 C LIG 1 -3.878 -2.627 -0.362 0.00 0.00 +0.111 C BRANCH 41 42 ATOM 42 C LIG 1 -4.709 -3.893 -0.155 0.00 0.00 +0.087 C BRANCH 42 43 ATOM 43 N LIG 1 -3.931 -5.109 -0.408 0.00 0.00 -0.330 NA ATOM 44 H LIG 1 -3.217 -5.179 0.322 0.00 0.00 +0.118 HD ATOM 45 H LIG 1 -4.536 -5.917 -0.259 0.00 0.00 +0.118 HD ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 11 41 TORSDOF 11