REMARK Name = BDB024259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.763 -1.776 0.050 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.610 -3.201 0.566 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.221 -3.576 1.774 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.087 -4.877 2.264 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.350 -5.820 1.551 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.755 -5.468 0.341 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.889 -4.169 -0.153 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.404 -1.204 -0.463 0.00 0.00 +0.240 C ATOM 9 N LIG 1 0.514 -1.042 0.565 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.283 -1.444 1.462 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.229 -0.949 -1.653 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 1.790 -0.484 0.434 0.00 0.00 +0.125 A ATOM 13 N LIG 1 2.181 0.078 -0.715 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.430 0.609 -0.767 0.00 0.00 +0.136 A ATOM 15 C LIG 1 4.353 0.645 0.281 0.00 0.00 +0.048 A ATOM 16 C LIG 1 3.902 0.042 1.458 0.00 0.00 +0.028 A ATOM 17 C LIG 1 2.622 -0.518 1.544 0.00 0.00 +0.045 A BRANCH 15 18 ATOM 18 N LIG 1 5.613 1.185 0.170 0.00 0.00 -0.323 N ATOM 19 C LIG 1 6.438 1.554 1.336 0.00 0.00 +0.180 C ATOM 20 C LIG 1 7.465 2.550 0.787 0.00 0.00 +0.266 C ATOM 21 F LIG 1 8.673 2.418 1.370 0.00 0.00 -0.204 F ATOM 22 F LIG 1 7.052 3.825 0.984 0.00 0.00 -0.204 F ATOM 23 C LIG 1 7.527 2.249 -0.693 0.00 0.00 +0.096 C ATOM 24 C LIG 1 6.075 1.914 -1.014 0.00 0.00 +0.111 C ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.796 -1.740 -1.011 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.317 -2.022 -1.873 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.343 -0.395 -1.236 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.398 -0.007 -0.189 0.00 0.00 +0.050 C BRANCH 28 32 ATOM 29 C LIG 1 -6.151 3.839 -1.083 0.00 0.00 +0.052 A ATOM 30 C LIG 1 -4.935 3.764 -0.398 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -4.370 2.520 -0.105 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.017 1.338 -0.491 0.00 0.00 -0.046 A ATOM 33 C LIG 1 -6.233 1.420 -1.183 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.799 2.663 -1.475 0.00 0.00 +0.019 A BRANCH 29 36 ATOM 35 N LIG 1 -7.202 6.149 -1.620 0.00 0.00 -0.191 NA ATOM 36 C LIG 1 -6.732 5.115 -1.381 0.00 0.00 +0.099 C ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9