REMARK Name = BDB044837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.912 2.311 -0.698 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.055 1.199 -1.550 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.945 0.378 -1.780 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.688 0.622 -1.240 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.133 -0.443 -1.729 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.578 -1.303 -2.474 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.536 1.744 -0.404 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.808 -0.769 -2.509 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.523 -1.249 -3.041 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.644 2.570 -0.153 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.171 -0.915 1.749 0.00 0.00 -0.047 A ATOM 12 C LIG 1 -4.670 0.354 1.408 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -5.518 1.286 0.828 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -5.321 2.692 0.333 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.095 3.203 -0.400 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.696 3.111 -0.134 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.538 2.030 0.057 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -8.518 2.054 -0.177 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.982 4.203 -0.595 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -4.394 3.652 1.018 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.864 0.945 0.623 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -7.395 -0.284 0.951 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -6.529 -1.224 1.514 0.00 0.00 +0.005 A BRANCH 11 25 ATOM 24 C LIG 1 -3.431 -2.657 1.261 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -4.246 -1.953 2.337 0.00 0.00 +0.032 C ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.527 -0.665 -1.480 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.466 0.275 -1.282 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 3.886 -0.024 -1.049 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.566 -1.020 -1.759 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.925 -1.256 -1.529 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.635 -0.497 -0.589 0.00 0.00 -0.033 A ATOM 32 C LIG 1 5.957 0.514 0.105 0.00 0.00 +0.005 A ATOM 33 C LIG 1 4.598 0.750 -0.126 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 8.108 -0.753 -0.341 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 8.449 -1.728 0.706 0.00 0.00 -0.304 NA ATOM 36 C LIG 1 8.025 -1.317 2.039 0.00 0.00 +0.104 C ATOM 37 C LIG 1 7.998 -3.081 0.403 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6