REMARK Name = BDB021587 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.158 -3.666 2.431 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.223 -2.841 1.533 0.00 0.00 +0.121 C ATOM 3 O LIG 1 0.688 -2.185 2.441 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 1.314 -1.068 1.965 0.00 0.00 +0.134 A ATOM 5 C LIG 1 0.653 0.135 1.705 0.00 0.00 +0.079 A ATOM 6 C LIG 1 1.395 1.264 1.331 0.00 0.00 +0.017 A ATOM 7 C LIG 1 2.784 1.187 1.202 0.00 0.00 +0.006 A ATOM 8 C LIG 1 3.452 -0.018 1.461 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -0.819 0.283 1.814 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -1.292 1.356 2.185 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.625 -0.773 1.403 0.00 0.00 -0.291 N ATOM 12 C LIG 1 2.705 -1.136 1.863 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -1.060 -1.890 0.647 0.00 0.00 +0.155 C ATOM 14 C LIG 1 0.582 -3.804 0.647 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 4.958 -0.114 1.325 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 N LIG 1 5.381 -1.097 0.315 0.00 0.00 -0.296 NA ATOM 17 C LIG 1 5.033 -0.694 -1.065 0.00 0.00 +0.100 C ATOM 18 C LIG 1 5.882 0.465 -1.636 0.00 0.00 +0.100 C ATOM 19 N LIG 1 7.331 0.179 -1.574 0.00 0.00 -0.293 NA ATOM 20 C LIG 1 7.705 -0.178 -0.189 0.00 0.00 +0.100 C ATOM 21 C LIG 1 6.839 -1.330 0.376 0.00 0.00 +0.100 C BRANCH 19 22 ATOM 22 C LIG 1 8.091 1.373 -2.000 0.00 0.00 +0.108 C ATOM 23 C LIG 1 8.006 1.574 -3.525 0.00 0.00 +0.181 C ATOM 24 O LIG 1 9.455 1.638 -3.620 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 9.557 1.016 -2.309 0.00 0.00 +0.181 C ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 26 ATOM 26 C LIG 1 -3.087 -0.622 1.436 0.00 0.00 +0.140 C BRANCH 26 27 ATOM 27 C LIG 1 -3.623 0.169 0.220 0.00 0.00 +0.146 C BRANCH 27 28 ATOM 28 O LIG 1 -3.372 1.574 0.389 0.00 0.00 -0.389 OA ATOM 29 H LIG 1 -2.633 1.678 1.026 0.00 0.00 +0.210 HD ENDBRANCH 27 28 BRANCH 27 30 ATOM 30 C LIG 1 -5.148 -0.062 0.054 0.00 0.00 +0.117 C BRANCH 30 31 ATOM 31 N LIG 1 -5.662 0.188 -1.313 0.00 0.00 -0.295 NA ATOM 32 C LIG 1 -7.092 -0.162 -1.422 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -8.052 0.856 -0.845 0.00 0.00 -0.030 A ATOM 34 C LIG 1 -7.666 2.198 -0.672 0.00 0.00 -0.042 A ATOM 35 C LIG 1 -8.584 3.127 -0.166 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -9.885 2.736 0.143 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.278 1.413 -0.048 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.249 2.625 -0.971 0.00 0.00 +0.051 C ATOM 39 C LIG 1 -9.368 0.478 -0.541 0.00 0.00 +0.005 A ATOM 40 C LIG 1 -5.477 1.573 -1.781 0.00 0.00 +0.089 C ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 11 26 TORSDOF 8