REMARK Name = BDB042626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.353 -1.596 1.956 0.00 0.00 +0.216 C ATOM 2 N LIG 1 0.052 -1.576 1.472 0.00 0.00 -0.298 N ATOM 3 C LIG 1 -0.881 -2.618 1.915 0.00 0.00 +0.126 C ATOM 4 C LIG 1 -1.930 -2.960 0.851 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.662 -1.785 0.368 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.905 -1.980 -0.224 0.00 0.00 +0.233 C ATOM 7 O LIG 1 -4.365 -3.115 -0.383 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.996 -0.486 0.522 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.465 -0.599 0.505 0.00 0.00 +0.126 C ATOM 10 O LIG 1 1.726 -2.421 2.789 0.00 0.00 -0.276 OA ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 2.298 -0.540 1.409 0.00 0.00 +0.102 C BRANCH 11 12 ATOM 12 C LIG 1 3.731 -0.758 1.900 0.00 0.00 +0.062 C BRANCH 12 20 ATOM 13 C LIG 1 7.612 -0.695 -1.748 0.00 0.00 +0.044 C ATOM 14 C LIG 1 7.452 0.684 -1.163 0.00 0.00 -0.042 A ATOM 15 C LIG 1 6.495 0.974 -0.164 0.00 0.00 -0.005 A ATOM 16 C LIG 1 6.400 2.288 0.341 0.00 0.00 +0.082 A ATOM 17 C LIG 1 5.397 2.589 1.392 0.00 0.00 +0.259 A ATOM 18 N LIG 1 4.609 1.536 1.804 0.00 0.00 -0.326 N ATOM 19 H LIG 1 3.949 1.767 2.537 0.00 0.00 +0.169 HD ATOM 20 C LIG 1 4.682 0.256 1.315 0.00 0.00 +0.020 A ATOM 21 O LIG 1 5.250 3.700 1.885 0.00 0.00 -0.267 OA ATOM 22 C LIG 1 7.242 3.288 -0.141 0.00 0.00 +0.136 A ATOM 23 F LIG 1 7.177 4.546 0.317 0.00 0.00 -0.205 F ATOM 24 C LIG 1 8.184 3.005 -1.123 0.00 0.00 +0.039 A ATOM 25 C LIG 1 5.585 -0.052 0.371 0.00 0.00 +0.030 A ATOM 26 C LIG 1 8.289 1.712 -1.631 0.00 0.00 +0.007 A ENDBRANCH 12 20 ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 6 27 ATOM 27 C LIG 1 -4.689 -0.734 -0.704 0.00 0.00 +0.142 C BRANCH 27 28 ATOM 28 N LIG 1 -4.107 -0.272 -1.990 0.00 0.00 -0.320 NA ATOM 29 H LIG 1 -4.680 0.499 -2.339 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 -4.221 -1.022 -2.674 0.00 0.00 +0.119 HD ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 C LIG 1 -6.187 -1.083 -0.846 0.00 0.00 +0.063 C BRANCH 31 32 ATOM 32 C LIG 1 -7.059 0.114 -1.155 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -7.596 0.289 -2.438 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.387 1.402 -2.727 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.650 2.348 -1.738 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.124 2.181 -0.458 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.333 1.069 -0.167 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 6 27 TORSDOF 7