REMARK Name = BDB060757 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.688 -0.245 -3.091 0.00 0.00 -0.209 N ATOM 2 C LIG 1 -3.030 -1.532 -2.683 0.00 0.00 +0.347 A ATOM 3 O LIG 1 -4.072 -2.130 -2.908 0.00 0.00 -0.245 OA ATOM 4 N LIG 1 -1.954 -1.980 -1.957 0.00 0.00 -0.275 N ATOM 5 C LIG 1 -1.077 -0.959 -1.931 0.00 0.00 +0.134 A ATOM 6 N LIG 1 -1.458 0.104 -2.582 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.583 0.703 -3.708 0.00 0.00 +0.184 C BRANCH 7 11 ATOM 8 C LIG 1 -5.903 2.826 -0.723 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -6.408 1.670 -1.331 0.00 0.00 +0.008 A ATOM 10 C LIG 1 -5.667 0.990 -2.302 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -4.401 1.452 -2.683 0.00 0.00 -0.026 A ATOM 12 C LIG 1 -3.881 2.592 -2.055 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -4.625 3.271 -1.085 0.00 0.00 +0.008 A BRANCH 8 15 ATOM 14 C LIG 1 -6.711 4.808 0.545 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -6.703 3.488 0.317 0.00 0.00 +0.000 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 16 ATOM 16 C LIG 1 -1.892 -3.288 -1.337 0.00 0.00 +0.163 C BRANCH 16 17 ATOM 17 C LIG 1 -2.121 -3.240 0.156 0.00 0.00 -0.028 A ATOM 18 C LIG 1 -1.167 -3.763 1.040 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -1.373 -3.712 2.421 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -2.535 -3.135 2.944 0.00 0.00 -0.050 A ATOM 21 C LIG 1 -2.771 -3.110 4.426 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -3.502 -2.640 2.064 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -3.298 -2.692 0.683 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 4 16 BRANCH 5 24 ATOM 24 C LIG 1 0.221 -1.010 -1.176 0.00 0.00 +0.077 C BRANCH 24 25 ATOM 25 C LIG 1 0.083 -0.244 0.142 0.00 0.00 +0.012 C BRANCH 25 26 ATOM 26 C LIG 1 1.252 -0.485 1.102 0.00 0.00 +0.035 C BRANCH 26 27 ATOM 27 C LIG 1 2.590 -0.040 0.564 0.00 0.00 -0.047 A ATOM 28 C LIG 1 2.851 1.319 0.334 0.00 0.00 +0.007 A ATOM 29 C LIG 1 4.087 1.725 -0.171 0.00 0.00 +0.046 A ATOM 30 C LIG 1 5.079 0.781 -0.424 0.00 0.00 +0.122 A ATOM 31 C LIG 1 4.827 -0.574 -0.224 0.00 0.00 +0.046 A ATOM 32 C LIG 1 3.589 -0.981 0.279 0.00 0.00 +0.007 A BRANCH 30 33 ATOM 33 O LIG 1 6.264 1.216 -0.940 0.00 0.00 -0.475 OA BRANCH 33 34 ATOM 34 C LIG 1 7.367 1.216 -0.020 0.00 0.00 +0.200 C ATOM 35 C LIG 1 8.143 2.513 -0.320 0.00 0.00 +0.067 C ATOM 36 C LIG 1 8.287 0.037 -0.384 0.00 0.00 +0.067 C BRANCH 34 37 ATOM 37 C LIG 1 7.082 1.180 1.505 0.00 0.00 +0.348 C ATOM 38 O LIG 1 7.314 0.254 2.270 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 6.510 2.309 1.980 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 6.337 2.108 2.924 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 13