REMARK Name = BDB000264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.382 -1.364 0.224 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.265 -2.417 0.870 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.364 -3.053 0.284 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.833 -2.653 -0.975 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -1.170 -1.597 -1.620 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.071 -0.961 -1.029 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.036 -3.305 -1.650 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.443 -2.877 -1.115 0.00 0.00 +0.075 C ATOM 9 C LIG 1 -4.915 -3.835 0.005 0.00 0.00 +0.100 C ATOM 10 N LIG 1 -4.957 -5.253 -0.380 0.00 0.00 -0.314 NA ATOM 11 H LIG 1 -4.593 -5.816 0.387 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -4.236 -5.561 -1.613 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -2.892 -4.848 -1.700 0.00 0.00 +0.025 C BRANCH 8 14 ATOM 14 N LIG 1 -4.607 -1.428 -0.889 0.00 0.00 -0.308 NA ATOM 15 H LIG 1 -5.556 -1.155 -1.146 0.00 0.00 +0.123 HD BRANCH 14 16 ATOM 16 C LIG 1 -4.380 -0.969 0.480 0.00 0.00 +0.116 C BRANCH 16 17 ATOM 17 C LIG 1 -4.522 0.534 0.558 0.00 0.00 -0.033 A ATOM 18 C LIG 1 -5.695 1.113 1.077 0.00 0.00 +0.015 A ATOM 19 C LIG 1 -5.818 2.516 1.131 0.00 0.00 -0.000 A ATOM 20 C LIG 1 -4.769 3.302 0.657 0.00 0.00 +0.046 A ATOM 21 N LIG 1 -5.144 4.617 0.817 0.00 0.00 -0.361 N ATOM 22 H LIG 1 -4.576 5.410 0.552 0.00 0.00 +0.165 HD ATOM 23 C LIG 1 -6.391 4.689 1.379 0.00 0.00 +0.083 A ATOM 24 C LIG 1 -3.595 2.755 0.129 0.00 0.00 +0.026 A ATOM 25 C LIG 1 -6.834 3.403 1.586 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -3.493 1.361 0.088 0.00 0.00 +0.007 A ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 27 ATOM 27 O LIG 1 1.436 -0.836 0.914 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 1.992 0.401 0.468 0.00 0.00 +0.231 C BRANCH 28 29 ATOM 29 C LIG 1 3.160 0.153 -0.479 0.00 0.00 +0.069 C BRANCH 29 30 ATOM 30 C LIG 1 3.815 1.463 -0.900 0.00 0.00 +0.163 C BRANCH 30 31 ATOM 31 O LIG 1 4.845 1.238 -1.862 0.00 0.00 -0.375 OA BRANCH 31 32 ATOM 32 C LIG 1 6.107 0.889 -1.281 0.00 0.00 +0.198 C BRANCH 32 34 ATOM 33 C LIG 1 7.498 2.110 0.475 0.00 0.00 +0.125 A ATOM 34 C LIG 1 6.847 2.108 -0.773 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.922 3.252 -1.589 0.00 0.00 +0.009 A ATOM 36 C LIG 1 7.614 4.385 -1.167 0.00 0.00 +0.001 A ATOM 37 C LIG 1 8.246 4.385 0.071 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.191 3.253 0.889 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 8.044 0.922 2.473 0.00 0.00 +0.277 C ATOM 40 O LIG 1 7.398 0.955 1.206 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 12