REMARK Name = BDB035530 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.517 -0.031 0.670 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.288 0.119 1.321 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.009 0.598 2.405 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.736 -0.453 0.438 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.100 -0.543 0.640 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -2.881 -1.134 -0.365 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.255 -1.623 -1.537 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -0.861 -1.528 -1.726 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.117 -0.930 -0.711 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.356 -0.690 -0.620 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.252 0.531 0.823 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.960 0.120 0.418 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.786 0.406 1.143 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.918 1.136 2.324 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.167 1.583 2.751 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.308 1.292 2.007 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.439 0.500 -2.160 0.00 0.00 +0.120 C ATOM 18 C LIG 1 6.531 -0.752 -1.266 0.00 0.00 +0.051 C ATOM 19 C LIG 1 6.596 0.185 -0.013 0.00 0.00 +0.060 C ATOM 20 C LIG 1 7.064 1.307 -1.003 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 7.742 -0.299 0.970 0.00 0.00 +0.144 A ATOM 22 N LIG 1 7.712 -1.385 1.805 0.00 0.00 -0.320 N ATOM 23 C LIG 1 6.644 -2.328 1.989 0.00 0.00 +0.151 C ATOM 24 C LIG 1 8.907 -1.391 2.454 0.00 0.00 +0.224 A ATOM 25 N LIG 1 9.633 -0.376 2.047 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 8.897 0.317 1.116 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 4.992 2.019 -3.385 0.00 0.00 +0.194 C ATOM 28 O LIG 1 5.099 0.858 -2.569 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -0.198 -2.035 -2.977 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.329 -1.027 -3.725 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.839 -2.877 -2.708 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.034 -2.722 -3.802 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.382 -1.268 -0.179 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -5.031 0.015 0.130 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.384 -0.203 0.718 0.00 0.00 +0.074 C ATOM 36 C LIG 1 -7.526 0.591 0.010 0.00 0.00 +0.103 C ATOM 37 N LIG 1 -7.521 0.319 -1.438 0.00 0.00 -0.303 NA ATOM 38 C LIG 1 -8.630 0.989 -2.113 0.00 0.00 +0.105 C ATOM 39 C LIG 1 -6.221 0.665 -2.042 0.00 0.00 +0.099 C ATOM 40 C LIG 1 -5.078 0.918 -1.032 0.00 0.00 +0.100 C BRANCH 35 41 ATOM 41 C LIG 1 -6.301 0.061 2.251 0.00 0.00 +0.001 C ATOM 42 C LIG 1 -5.915 1.500 2.610 0.00 0.00 +0.009 C ATOM 43 C LIG 1 -7.600 -0.317 2.971 0.00 0.00 +0.009 C ENDBRANCH 35 41 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8