REMARK Name = BDB024254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.143 -1.987 -1.250 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.457 -2.349 0.196 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.313 -1.434 1.253 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.614 -1.806 2.565 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.075 -3.092 2.838 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.240 -4.006 1.801 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.936 -3.638 0.489 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.177 -1.324 -0.783 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.172 -2.146 -0.191 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.020 -0.967 -1.446 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.095 0.014 -2.180 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 4.938 0.450 -0.543 0.00 0.00 +0.038 A ATOM 13 C LIG 1 3.961 1.040 -1.342 0.00 0.00 +0.136 A ATOM 14 F LIG 1 4.223 2.155 -2.041 0.00 0.00 -0.205 F ATOM 15 C LIG 1 2.686 0.492 -1.461 0.00 0.00 +0.082 A ATOM 16 C LIG 1 2.404 -0.664 -0.763 0.00 0.00 +0.128 A ATOM 17 N LIG 1 3.319 -1.272 0.020 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 4.551 -0.709 0.113 0.00 0.00 +0.124 A BRANCH 12 23 ATOM 19 C LIG 1 8.826 3.538 -0.369 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.987 2.366 -0.310 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.526 1.181 0.025 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.490 0.340 -0.028 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.280 0.980 -0.391 0.00 0.00 +0.024 A ATOM 24 C LIG 1 6.647 2.300 -0.558 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.338 -1.608 -2.054 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -1.968 -1.309 -2.961 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.097 -0.471 -1.512 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -4.395 -0.932 -0.834 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.146 0.227 -0.220 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.989 1.024 -1.005 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.668 2.106 -0.438 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.508 2.402 0.919 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.665 1.611 1.706 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.986 0.531 1.138 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.204 3.511 1.501 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.767 4.410 1.974 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9