REMARK Name = BDB038600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.295 0.030 -2.299 0.00 0.00 +0.217 A ATOM 2 N LIG 1 -2.991 -0.223 -2.095 0.00 0.00 -0.198 NA ATOM 3 C LIG 1 -2.598 -0.698 -0.902 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -3.526 -0.936 0.109 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -4.886 -0.637 -0.084 0.00 0.00 -0.009 A ATOM 6 C LIG 1 -5.267 -0.150 -1.335 0.00 0.00 +0.075 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -1.224 -0.921 -0.685 0.00 0.00 -0.247 N ATOM 8 C LIG 1 -0.229 -0.752 -1.646 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -0.278 -0.437 -2.822 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.049 -1.034 -0.980 0.00 0.00 +0.046 A ATOM 11 C LIG 1 0.794 -1.347 0.350 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.828 -1.653 1.214 0.00 0.00 +0.126 A ATOM 13 C LIG 1 3.132 -1.630 0.701 0.00 0.00 +0.051 A ATOM 14 C LIG 1 3.396 -1.306 -0.658 0.00 0.00 -0.029 A ATOM 15 C LIG 1 2.325 -1.016 -1.512 0.00 0.00 +0.018 A ATOM 16 C LIG 1 -0.672 -1.290 0.610 0.00 0.00 +0.155 C BRANCH 12 17 ATOM 17 O LIG 1 1.467 -1.951 2.494 0.00 0.00 -0.495 OA ATOM 18 C LIG 1 2.511 -2.326 3.389 0.00 0.00 +0.277 C ENDBRANCH 12 17 BRANCH 14 19 ATOM 19 C LIG 1 4.822 -1.307 -1.173 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 5.497 -0.004 -1.291 0.00 0.00 -0.298 NA ATOM 21 C LIG 1 4.943 0.844 -2.344 0.00 0.00 +0.105 C BRANCH 20 22 ATOM 22 C LIG 1 5.623 0.730 -0.016 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 C LIG 1 7.099 1.127 0.211 0.00 0.00 +0.079 C ATOM 24 C LIG 1 7.344 1.967 1.497 0.00 0.00 +0.036 C ATOM 25 C LIG 1 8.399 2.767 0.696 0.00 0.00 +0.006 C ATOM 26 C LIG 1 7.636 2.363 -0.582 0.00 0.00 +0.036 C BRANCH 23 27 ATOM 27 O LIG 1 7.928 -0.067 0.096 0.00 0.00 -0.387 OA ATOM 28 H LIG 1 7.612 -0.453 -0.747 0.00 0.00 +0.210 HD ENDBRANCH 23 27 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 3 7 BRANCH 5 29 ATOM 29 C LIG 1 -5.873 -0.813 1.005 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -5.697 -0.256 2.300 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -6.648 -0.496 3.304 0.00 0.00 +0.050 A ATOM 32 C LIG 1 -7.780 -1.247 3.025 0.00 0.00 +0.124 A ATOM 33 F LIG 1 -8.687 -1.455 3.988 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -7.984 -1.787 1.765 0.00 0.00 +0.039 A ATOM 35 C LIG 1 -7.037 -1.572 0.762 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 -4.540 0.565 2.647 0.00 0.00 +0.164 A ATOM 37 N LIG 1 -4.262 1.823 2.173 0.00 0.00 -0.317 N ATOM 38 C LIG 1 -5.063 2.643 1.306 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.057 2.175 2.700 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -2.620 1.210 3.471 0.00 0.00 -0.138 NA ATOM 41 N LIG 1 -3.548 0.198 3.438 0.00 0.00 -0.129 NA ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 1 42 ATOM 42 O LIG 1 -4.720 0.524 -3.515 0.00 0.00 -0.477 OA BRANCH 42 44 ATOM 43 C LIG 1 -3.518 -0.732 -5.216 0.00 0.00 +0.048 C ATOM 44 C LIG 1 -3.697 0.605 -4.513 0.00 0.00 +0.227 C ENDBRANCH 42 44 ENDBRANCH 1 42 TORSDOF 11