REMARK Name = BDB017506 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.578 0.991 -0.043 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.667 0.867 0.561 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -1.537 1.933 0.865 0.00 0.00 +0.041 A ATOM 4 C LIG 1 -2.704 1.458 1.468 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -3.714 2.333 1.851 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.548 3.699 1.615 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.372 4.190 1.018 0.00 0.00 -0.041 A ATOM 8 C LIG 1 -2.651 -0.042 1.674 0.00 0.00 +0.087 C ATOM 9 C LIG 1 -2.498 -0.338 3.174 0.00 0.00 +0.027 C ATOM 10 C LIG 1 -1.360 3.290 0.640 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.363 -0.390 0.888 0.00 0.00 +0.134 C ATOM 12 O LIG 1 1.103 2.071 -0.330 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -3.843 -0.811 1.073 0.00 0.00 +0.229 C ATOM 14 N LIG 1 -3.726 -2.195 1.184 0.00 0.00 -0.285 N ATOM 15 H LIG 1 -2.930 -2.560 1.690 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 -4.793 -0.237 0.550 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 -4.628 -3.173 0.711 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -5.798 -2.888 0.002 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -6.640 -3.919 -0.434 0.00 0.00 +0.017 A ATOM 20 C LIG 1 -6.307 -5.250 -0.173 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -5.149 -5.546 0.549 0.00 0.00 +0.017 A ATOM 22 C LIG 1 -4.312 -4.512 0.982 0.00 0.00 +0.024 A BRANCH 20 23 ATOM 23 C LIG 1 -7.173 -6.370 -0.609 0.00 0.00 +0.337 C ATOM 24 O LIG 1 -7.361 -7.363 0.070 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 -7.686 -6.198 -1.845 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 -7.327 -5.437 -2.338 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 14 17 ENDBRANCH 8 13 BRANCH 1 27 ATOM 27 C LIG 1 1.332 -0.316 -0.354 0.00 0.00 +0.181 C BRANCH 27 34 ATOM 28 C LIG 1 3.191 -1.067 4.218 0.00 0.00 +0.025 C ATOM 29 C LIG 1 3.522 -0.796 2.753 0.00 0.00 +0.065 C ATOM 30 N LIG 1 4.467 -1.834 2.294 0.00 0.00 -0.311 NA ATOM 31 H LIG 1 5.373 -1.388 2.144 0.00 0.00 +0.122 HD ATOM 32 C LIG 1 4.044 -2.434 1.020 0.00 0.00 +0.101 C ATOM 33 C LIG 1 3.495 -1.445 -0.052 0.00 0.00 +0.085 C ATOM 34 N LIG 1 2.529 -0.454 0.495 0.00 0.00 -0.287 NA ATOM 35 C LIG 1 2.223 -0.681 1.912 0.00 0.00 +0.103 C BRANCH 33 36 ATOM 36 C LIG 1 4.645 -0.644 -0.741 0.00 0.00 +0.105 C BRANCH 36 37 ATOM 37 N LIG 1 5.665 -1.455 -1.439 0.00 0.00 -0.294 NA ATOM 38 C LIG 1 6.812 -0.677 -1.997 0.00 0.00 +0.079 C ATOM 39 C LIG 1 7.207 0.587 -1.227 0.00 0.00 +0.026 C ATOM 40 C LIG 1 6.626 -0.352 -3.499 0.00 0.00 +0.178 C ATOM 41 O LIG 1 6.508 -1.520 -4.326 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 6.040 -2.669 -3.611 0.00 0.00 +0.175 C ATOM 43 C LIG 1 5.052 -2.293 -2.499 0.00 0.00 +0.113 C ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 27 34 ENDBRANCH 1 27 BRANCH 7 44 ATOM 44 C LIG 1 -2.210 5.669 0.749 0.00 0.00 +0.070 C BRANCH 44 45 ATOM 45 C LIG 1 -2.747 6.098 -0.597 0.00 0.00 -0.043 A ATOM 46 C LIG 1 -1.943 6.005 -1.745 0.00 0.00 +0.007 A ATOM 47 C LIG 1 -2.444 6.385 -2.991 0.00 0.00 +0.038 A ATOM 48 C LIG 1 -3.748 6.854 -3.091 0.00 0.00 +0.123 A ATOM 49 F LIG 1 -4.229 7.217 -4.287 0.00 0.00 -0.205 F ATOM 50 C LIG 1 -4.563 6.948 -1.969 0.00 0.00 +0.038 A ATOM 51 C LIG 1 -4.064 6.569 -0.722 0.00 0.00 +0.007 A ENDBRANCH 44 45 ENDBRANCH 7 44 TORSDOF 10