REMARK Name = BDB003299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.527 3.038 1.435 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.649 2.007 1.370 0.00 0.00 -0.226 NA ATOM 3 C LIG 1 -1.110 0.810 0.938 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -2.457 0.622 0.514 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.337 1.723 0.613 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -4.678 1.587 0.223 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -5.160 0.378 -0.282 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -4.311 -0.723 -0.420 0.00 0.00 -0.043 A ATOM 9 C LIG 1 -2.970 -0.585 -0.025 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.861 2.945 1.087 0.00 0.00 +0.041 A ENDROOT BRANCH 3 11 ATOM 11 N LIG 1 -0.186 -0.269 0.920 0.00 0.00 -0.284 N ATOM 12 C LIG 1 1.169 -0.136 0.531 0.00 0.00 +0.039 A ATOM 13 C LIG 1 2.209 -0.818 1.183 0.00 0.00 -0.025 A ATOM 14 C LIG 1 3.531 -0.695 0.723 0.00 0.00 +0.014 A ATOM 15 C LIG 1 3.855 0.128 -0.367 0.00 0.00 -0.006 A ATOM 16 C LIG 1 2.837 0.853 -1.005 0.00 0.00 +0.027 A ATOM 17 C LIG 1 1.931 -1.698 2.371 0.00 0.00 +0.038 C ATOM 18 C LIG 1 0.612 -1.316 3.022 0.00 0.00 +0.024 C ATOM 19 C LIG 1 1.509 0.692 -0.555 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -0.475 -1.276 1.958 0.00 0.00 +0.113 C BRANCH 15 21 ATOM 21 C LIG 1 5.244 0.186 -0.776 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.714 -0.151 -2.026 0.00 0.00 +0.116 A ATOM 23 N LIG 1 7.068 0.015 -1.980 0.00 0.00 -0.274 N ATOM 24 C LIG 1 8.003 -0.182 -3.060 0.00 0.00 +0.172 C ATOM 25 N LIG 1 7.522 0.387 -0.768 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 6.408 0.497 -0.039 0.00 0.00 +0.142 A ENDBRANCH 15 21 BRANCH 16 27 ATOM 27 C LIG 1 3.090 1.787 -2.161 0.00 0.00 +0.372 C ATOM 28 F LIG 1 3.273 1.131 -3.342 0.00 0.00 -0.204 F ATOM 29 F LIG 1 4.175 2.594 -1.998 0.00 0.00 -0.204 F ENDBRANCH 16 27 ENDBRANCH 3 11 BRANCH 8 30 ATOM 30 C LIG 1 -4.846 -2.026 -0.986 0.00 0.00 +0.023 C ATOM 31 C LIG 1 -4.143 -2.431 -2.290 0.00 0.00 +0.036 C ATOM 32 C LIG 1 -4.672 -3.772 -2.781 0.00 0.00 +0.160 C ATOM 33 O LIG 1 -4.523 -4.772 -1.774 0.00 0.00 -0.380 OA ATOM 34 C LIG 1 -5.268 -4.469 -0.596 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -4.774 -3.173 0.033 0.00 0.00 +0.036 C ENDBRANCH 8 30 BRANCH 1 39 ATOM 36 C LIG 1 1.090 5.415 2.767 0.00 0.00 +0.128 C ATOM 37 N LIG 1 0.388 4.309 2.178 0.00 0.00 -0.313 N ATOM 38 H LIG 1 0.833 3.396 2.105 0.00 0.00 +0.149 HD ATOM 39 C LIG 1 -0.967 4.340 1.922 0.00 0.00 +0.262 C ATOM 40 O LIG 1 -1.677 5.326 2.075 0.00 0.00 -0.269 OA ENDBRANCH 1 39 TORSDOF 5