REMARK Name = BDB049201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.322 1.001 1.081 0.00 0.00 +0.004 A ATOM 2 C LIG 1 -3.522 0.350 0.756 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -4.668 1.075 0.388 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -4.604 2.484 0.348 0.00 0.00 +0.078 A ATOM 5 C LIG 1 -3.400 3.127 0.687 0.00 0.00 +0.017 A ATOM 6 C LIG 1 -2.271 2.394 1.054 0.00 0.00 +0.011 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 2.630 -0.268 -0.150 0.00 0.00 -0.010 A ATOM 8 C LIG 1 2.202 -0.886 0.979 0.00 0.00 +0.055 A ATOM 9 C LIG 1 0.886 -0.683 1.482 0.00 0.00 +0.139 A ATOM 10 N LIG 1 0.055 0.185 0.782 0.00 0.00 -0.299 N ATOM 11 C LIG 1 -1.152 0.220 1.463 0.00 0.00 +0.073 A ATOM 12 C LIG 1 -0.974 -0.650 2.524 0.00 0.00 +0.139 A ATOM 13 C LIG 1 0.459 0.832 -0.384 0.00 0.00 +0.094 A ATOM 14 N LIG 1 0.281 -1.198 2.530 0.00 0.00 -0.235 NA ATOM 15 C LIG 1 1.701 0.631 -0.855 0.00 0.00 +0.027 A BRANCH 7 19 ATOM 16 N LIG 1 6.106 -0.872 -0.855 0.00 0.00 -0.270 N ATOM 17 N LIG 1 5.716 -0.639 -2.121 0.00 0.00 -0.179 NA ATOM 18 C LIG 1 4.408 -0.395 -2.006 0.00 0.00 +0.142 A ATOM 19 C LIG 1 3.954 -0.471 -0.670 0.00 0.00 +0.020 A ATOM 20 C LIG 1 5.086 -0.790 0.051 0.00 0.00 +0.116 A BRANCH 16 21 ATOM 21 C LIG 1 7.497 -1.185 -0.572 0.00 0.00 +0.158 C BRANCH 21 22 ATOM 22 C LIG 1 8.333 0.090 -0.404 0.00 0.00 +0.107 C BRANCH 22 24 ATOM 23 C LIG 1 9.991 -0.745 1.192 0.00 0.00 +0.104 C ATOM 24 N LIG 1 9.764 -0.078 -0.086 0.00 0.00 -0.307 NA ATOM 25 C LIG 1 10.503 -0.734 -1.162 0.00 0.00 +0.104 C ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 16 21 ENDBRANCH 7 19 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 -5.741 3.384 -0.031 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -5.605 4.603 -0.073 0.00 0.00 -0.270 OA ATOM 28 N LIG 1 -6.946 2.825 -0.335 0.00 0.00 -0.325 N ATOM 29 H LIG 1 -7.710 3.432 -0.595 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 -7.090 1.822 -0.325 0.00 0.00 +0.145 HD ENDBRANCH 4 26 BRANCH 3 31 ATOM 31 O LIG 1 -5.857 0.481 0.052 0.00 0.00 -0.487 OA BRANCH 31 32 ATOM 32 C LIG 1 -5.965 -0.937 0.146 0.00 0.00 +0.264 C BRANCH 32 33 ATOM 33 C LIG 1 -7.379 -1.298 -0.232 0.00 0.00 -0.008 A ATOM 34 C LIG 1 -8.401 -1.257 0.727 0.00 0.00 +0.045 A ATOM 35 C LIG 1 -9.707 -1.567 0.362 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -10.675 -1.529 1.287 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -10.024 -1.912 -0.946 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -9.019 -1.943 -1.911 0.00 0.00 +0.003 A ATOM 39 C LIG 1 -7.703 -1.633 -1.557 0.00 0.00 +0.007 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 3 31 TORSDOF 9