REMARK Name = BDB064981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.754 1.137 -0.283 0.00 0.00 +0.267 C ATOM 2 N LIG 1 1.875 0.328 -0.288 0.00 0.00 -0.280 N ATOM 3 H LIG 1 1.688 -0.622 0.029 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.690 2.319 -0.598 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.815 0.326 0.620 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.629 -1.009 1.006 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -1.363 -1.598 0.956 0.00 0.00 +0.046 A ATOM 8 N LIG 1 -0.280 -0.891 0.550 0.00 0.00 -0.247 NA ATOM 9 C LIG 1 -0.475 0.408 0.177 0.00 0.00 +0.126 A ATOM 10 C LIG 1 -1.702 1.051 0.200 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 -1.169 -3.037 1.369 0.00 0.00 +0.038 C ATOM 12 C LIG 1 -0.306 -3.955 0.532 0.00 0.00 +0.010 C ATOM 13 C LIG 1 -1.792 -4.148 0.555 0.00 0.00 +0.010 C ENDBRANCH 7 11 BRANCH 5 14 ATOM 14 C LIG 1 -4.187 0.970 0.675 0.00 0.00 +0.120 C BRANCH 14 16 ATOM 15 C LIG 1 -6.596 0.657 0.233 0.00 0.00 +0.074 C ATOM 16 N LIG 1 -5.208 0.199 -0.061 0.00 0.00 -0.293 NA ATOM 17 C LIG 1 -4.997 0.304 -1.531 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -5.719 1.478 -2.251 0.00 0.00 +0.099 C ATOM 19 N LIG 1 -6.031 2.592 -1.348 0.00 0.00 -0.303 NA ATOM 20 C LIG 1 -6.647 3.711 -2.052 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.864 2.135 -0.218 0.00 0.00 +0.103 C BRANCH 15 23 ATOM 22 C LIG 1 -8.546 0.750 1.892 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -7.067 0.389 1.696 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -6.861 -1.076 2.099 0.00 0.00 +0.009 C ENDBRANCH 15 23 ENDBRANCH 14 16 ENDBRANCH 5 14 ENDBRANCH 1 9 BRANCH 2 25 ATOM 25 C LIG 1 3.183 0.648 -0.685 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.156 -0.356 -0.558 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.509 -0.163 -0.920 0.00 0.00 -0.036 A ATOM 28 C LIG 1 5.836 1.111 -1.424 0.00 0.00 +0.004 A ATOM 29 C LIG 1 4.881 2.120 -1.558 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.558 1.889 -1.188 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 6.632 -1.321 -0.709 0.00 0.00 +0.045 C ATOM 32 C LIG 1 7.737 -1.471 -1.814 0.00 0.00 +0.090 C ATOM 33 C LIG 1 6.868 -2.550 -2.483 0.00 0.00 +0.251 C ATOM 34 F LIG 1 7.531 -3.612 -2.988 0.00 0.00 -0.206 F ATOM 35 F LIG 1 6.040 -2.111 -3.459 0.00 0.00 -0.206 F ATOM 36 C LIG 1 6.200 -2.777 -1.113 0.00 0.00 +0.090 C BRANCH 31 37 ATOM 37 C LIG 1 7.173 -1.238 0.735 0.00 0.00 +0.244 C ATOM 38 F LIG 1 7.990 -2.312 0.949 0.00 0.00 -0.236 F BRANCH 37 39 ATOM 39 C LIG 1 7.922 0.027 0.994 0.00 0.00 +0.168 A ATOM 40 N LIG 1 7.537 1.011 1.869 0.00 0.00 -0.318 N ATOM 41 C LIG 1 6.380 1.033 2.723 0.00 0.00 +0.151 C ATOM 42 C LIG 1 8.464 2.001 1.761 0.00 0.00 +0.224 A ATOM 43 N LIG 1 9.370 1.658 0.878 0.00 0.00 -0.138 NA ATOM 44 N LIG 1 9.034 0.416 0.398 0.00 0.00 -0.132 NA ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 27 31 ENDBRANCH 2 25 TORSDOF 9