REMARK Name = BDB035746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.254 1.490 -0.923 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.276 0.196 -0.980 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.264 -0.895 -0.971 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.733 0.338 -1.101 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.694 -0.655 -1.162 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.037 -0.267 -1.265 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.356 1.113 -1.335 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.365 2.112 -1.274 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.044 1.691 -1.151 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.789 2.497 -1.064 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.956 1.191 -0.282 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -2.589 0.871 -0.437 0.00 0.00 +0.029 A ATOM 13 C LIG 1 -1.623 1.835 -0.761 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.052 3.160 -0.920 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.402 3.498 -0.807 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.347 2.519 -0.510 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 -5.000 0.101 -0.004 0.00 0.00 +0.174 C BRANCH 17 18 ATOM 18 C LIG 1 -4.483 -1.103 0.748 0.00 0.00 +0.158 A ATOM 19 N LIG 1 -4.353 -2.362 0.215 0.00 0.00 -0.319 N ATOM 20 C LIG 1 -4.655 -2.787 -1.126 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -3.861 -3.149 1.209 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -3.700 -2.435 2.297 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -4.082 -1.148 2.008 0.00 0.00 -0.132 NA ENDBRANCH 17 18 BRANCH 17 26 ATOM 24 C LIG 1 -8.653 0.451 1.061 0.00 0.00 +0.109 C ATOM 25 C LIG 1 -7.431 0.081 0.257 0.00 0.00 +0.213 C ATOM 26 N LIG 1 -6.211 0.591 0.690 0.00 0.00 -0.291 N ATOM 27 C LIG 1 -6.055 1.150 2.033 0.00 0.00 +0.133 C ATOM 28 O LIG 1 -7.540 -0.628 -0.744 0.00 0.00 -0.276 OA ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 3.711 3.574 -1.327 0.00 0.00 +0.418 C ATOM 30 F LIG 1 3.398 4.220 -0.170 0.00 0.00 -0.166 F ATOM 31 F LIG 1 5.028 3.826 -1.558 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.027 4.228 -2.308 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.120 -1.321 -1.353 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.327 -0.992 -0.584 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 7.133 -1.324 -1.115 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.293 -1.511 0.797 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.735 -1.357 1.373 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.615 -2.808 1.887 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.552 -3.045 0.794 0.00 0.00 +0.022 C ATOM 40 C LIG 1 5.196 -0.956 1.685 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8