REMARK Name = BDB000263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.031 -0.138 1.645 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.257 0.798 2.331 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.133 0.668 2.402 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.783 -0.409 1.787 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -0.997 -1.347 1.099 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.396 -1.213 1.028 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.299 -0.585 1.840 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.108 0.385 0.923 0.00 0.00 +0.075 C ATOM 9 C LIG 1 -4.242 1.788 1.574 0.00 0.00 +0.100 C ATOM 10 N LIG 1 -4.455 1.795 3.027 0.00 0.00 -0.314 NA ATOM 11 H LIG 1 -5.112 2.532 3.279 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -4.898 0.508 3.539 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -3.844 -0.572 3.290 0.00 0.00 +0.025 C BRANCH 8 14 ATOM 14 N LIG 1 -3.577 0.427 -0.453 0.00 0.00 -0.308 NA ATOM 15 H LIG 1 -3.352 -0.516 -0.761 0.00 0.00 +0.123 HD BRANCH 14 16 ATOM 16 C LIG 1 -4.442 1.071 -1.439 0.00 0.00 +0.116 C BRANCH 16 17 ATOM 17 C LIG 1 -5.679 0.267 -1.772 0.00 0.00 -0.033 A ATOM 18 C LIG 1 -6.941 0.685 -1.300 0.00 0.00 +0.016 A ATOM 19 C LIG 1 -8.078 -0.084 -1.604 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -7.917 -1.235 -2.366 0.00 0.00 +0.135 A ATOM 21 O LIG 1 -9.119 -1.847 -2.558 0.00 0.00 -0.463 OA ATOM 22 C LIG 1 -10.053 -1.092 -1.923 0.00 0.00 +0.196 A ATOM 23 C LIG 1 -6.694 -1.684 -2.854 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -9.467 -0.000 -1.322 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -5.573 -0.907 -2.540 0.00 0.00 +0.008 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 2.372 0.121 1.654 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 3.260 -0.777 0.988 0.00 0.00 +0.231 C BRANCH 27 28 ATOM 28 C LIG 1 3.376 -0.453 -0.502 0.00 0.00 +0.069 C BRANCH 28 29 ATOM 29 C LIG 1 3.977 0.930 -0.750 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 O LIG 1 5.316 1.010 -0.262 0.00 0.00 -0.375 OA BRANCH 30 31 ATOM 31 C LIG 1 6.286 0.568 -1.216 0.00 0.00 +0.198 C BRANCH 31 33 ATOM 32 C LIG 1 8.765 0.127 -1.431 0.00 0.00 +0.125 A ATOM 33 C LIG 1 7.684 0.554 -0.633 0.00 0.00 +0.020 A ATOM 34 C LIG 1 7.931 0.962 0.689 0.00 0.00 +0.009 A ATOM 35 C LIG 1 9.224 0.945 1.211 0.00 0.00 +0.001 A ATOM 36 C LIG 1 10.285 0.521 0.420 0.00 0.00 +0.004 A ATOM 37 C LIG 1 10.058 0.113 -0.897 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 9.512 -0.666 -3.554 0.00 0.00 +0.277 C ATOM 39 O LIG 1 8.444 -0.255 -2.709 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 12