REMARK Name = BDB022398 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.637 0.935 2.178 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -1.785 0.372 1.592 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -3.016 0.347 2.268 0.00 0.00 -0.038 A ATOM 4 C LIG 1 -3.094 0.882 3.559 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.966 1.444 4.155 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.751 1.472 3.470 0.00 0.00 +0.008 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 3.130 1.008 0.082 0.00 0.00 +0.034 A ATOM 8 C LIG 1 3.035 0.446 1.354 0.00 0.00 +0.024 A ATOM 9 C LIG 1 1.809 0.423 2.033 0.00 0.00 +0.010 A ATOM 10 C LIG 1 0.647 0.958 1.459 0.00 0.00 -0.018 A ATOM 11 C LIG 1 0.752 1.519 0.178 0.00 0.00 +0.010 A ATOM 12 C LIG 1 1.976 1.543 -0.501 0.00 0.00 +0.024 A BRANCH 7 14 ATOM 13 C LIG 1 5.572 0.624 -0.295 0.00 0.00 +0.241 C ATOM 14 N LIG 1 4.322 1.073 -0.670 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.236 1.502 -1.580 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 5.885 0.090 0.760 0.00 0.00 -0.271 OA BRANCH 13 18 ATOM 17 C LIG 1 7.865 0.490 -1.183 0.00 0.00 -0.007 C ATOM 18 C LIG 1 6.587 0.863 -1.363 0.00 0.00 +0.064 C BRANCH 17 19 ATOM 19 C LIG 1 8.953 0.701 -2.196 0.00 0.00 +0.111 C BRANCH 19 21 ATOM 20 C LIG 1 8.653 -1.383 -3.424 0.00 0.00 +0.104 C ATOM 21 N LIG 1 9.588 -0.513 -2.716 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 10.332 -1.252 -1.700 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 13 18 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 -4.235 -0.273 1.621 0.00 0.00 +0.131 C BRANCH 23 24 ATOM 24 C LIG 1 -4.449 -1.739 1.950 0.00 0.00 +0.223 C ATOM 25 N LIG 1 -5.510 -2.408 1.416 0.00 0.00 -0.269 N ATOM 26 H LIG 1 -5.571 -3.380 1.688 0.00 0.00 +0.156 HD ATOM 27 O LIG 1 -3.694 -2.368 2.696 0.00 0.00 -0.275 OA BRANCH 25 28 ATOM 28 C LIG 1 -6.526 -2.026 0.578 0.00 0.00 +0.147 A ATOM 29 N LIG 1 -7.421 -2.963 0.245 0.00 0.00 -0.158 NA ATOM 30 N LIG 1 -8.286 -2.334 -0.565 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -9.065 -2.859 -0.949 0.00 0.00 +0.189 HD ATOM 32 C LIG 1 -7.978 -1.025 -0.756 0.00 0.00 +0.041 A ATOM 33 C LIG 1 -6.833 -0.789 -0.035 0.00 0.00 +0.068 A BRANCH 32 34 ATOM 34 C LIG 1 -8.748 -0.018 -1.636 0.00 0.00 +0.037 C ATOM 35 C LIG 1 -10.218 0.190 -1.388 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -9.238 1.264 -1.019 0.00 0.00 +0.010 C ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 9