REMARK Name = BDB022970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.851 3.900 1.127 0.00 0.00 +0.028 C ATOM 2 C LIG 1 0.720 2.731 2.114 0.00 0.00 +0.078 C ATOM 3 N LIG 1 0.054 1.575 1.489 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -1.344 1.579 1.487 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.977 2.383 2.181 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.849 0.781 0.539 0.00 0.00 +0.163 C ATOM 7 C LIG 1 2.337 0.743 0.799 0.00 0.00 +0.067 A ATOM 8 C LIG 1 2.902 1.513 1.800 0.00 0.00 -0.005 A ATOM 9 C LIG 1 4.268 1.411 1.925 0.00 0.00 +0.120 A ATOM 10 N LIG 1 5.029 0.631 1.138 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 4.401 -0.103 0.209 0.00 0.00 +0.216 A ATOM 12 N LIG 1 3.076 -0.067 0.000 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 2.071 2.336 2.729 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -2.076 0.504 0.677 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.455 1.020 0.203 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.322 -0.134 -0.352 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.453 -1.247 0.610 0.00 0.00 -0.301 NA ATOM 18 C LIG 1 -3.126 -1.799 0.920 0.00 0.00 +0.085 C ATOM 19 C LIG 1 -2.241 -0.735 1.570 0.00 0.00 +0.029 C BRANCH 15 20 ATOM 20 C LIG 1 -3.315 2.137 -0.831 0.00 0.00 -0.042 A ATOM 21 C LIG 1 -2.786 1.910 -2.113 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -2.678 2.954 -3.036 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -3.089 4.239 -2.687 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -3.603 4.483 -1.415 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -3.714 3.440 -0.493 0.00 0.00 +0.004 A ENDBRANCH 15 20 BRANCH 17 26 ATOM 26 C LIG 1 -5.369 -2.271 0.071 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -5.849 -3.231 1.151 0.00 0.00 +0.054 C ATOM 28 C LIG 1 -7.073 -4.070 0.756 0.00 0.00 +0.166 C ATOM 29 O LIG 1 -7.784 -3.670 1.954 0.00 0.00 -0.379 OA ATOM 30 C LIG 1 -6.775 -2.669 2.242 0.00 0.00 +0.166 C ENDBRANCH 26 27 ENDBRANCH 17 26 ENDBRANCH 4 14 BRANCH 11 31 ATOM 31 N LIG 1 5.117 -1.010 -0.554 0.00 0.00 -0.309 N ATOM 32 H LIG 1 4.505 -1.349 -1.285 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 6.395 -0.516 -1.025 0.00 0.00 +0.139 C BRANCH 33 34 ATOM 34 C LIG 1 7.258 -1.683 -1.454 0.00 0.00 -0.030 A ATOM 35 C LIG 1 7.730 -2.591 -0.488 0.00 0.00 +0.005 A ATOM 36 C LIG 1 8.577 -3.642 -0.853 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.954 -3.804 -2.185 0.00 0.00 +0.000 A ATOM 38 C LIG 1 8.471 -2.926 -3.156 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.626 -1.870 -2.796 0.00 0.00 +0.005 A ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 11 31 TORSDOF 7