REMARK Name = BDB044830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.003 -1.962 -0.176 0.00 0.00 +0.093 A ATOM 2 C LIG 1 2.277 -1.512 -0.642 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.118 -2.608 -0.503 0.00 0.00 +0.067 A ATOM 4 C LIG 1 4.474 -2.583 -0.850 0.00 0.00 +0.031 A ATOM 5 C LIG 1 5.022 -1.388 -1.353 0.00 0.00 -0.041 A ATOM 6 C LIG 1 4.170 -0.282 -1.515 0.00 0.00 +0.005 A ATOM 7 N LIG 1 2.330 -3.602 0.006 0.00 0.00 -0.276 N ATOM 8 H LIG 1 2.603 -4.551 0.232 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 2.812 -0.320 -1.163 0.00 0.00 +0.012 A ATOM 10 N LIG 1 1.056 -3.242 0.222 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.479 -1.300 -1.748 0.00 0.00 +0.040 C ATOM 12 C LIG 1 7.454 -0.377 -1.046 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.131 0.545 0.096 0.00 0.00 -0.011 A ATOM 14 C LIG 1 7.879 1.721 -0.081 0.00 0.00 +0.038 A ATOM 15 C LIG 1 7.833 2.792 0.788 0.00 0.00 +0.023 A ATOM 16 C LIG 1 6.993 2.676 1.896 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.239 1.509 2.105 0.00 0.00 +0.000 A ATOM 18 N LIG 1 8.655 1.611 -1.236 0.00 0.00 -0.284 N ATOM 19 H LIG 1 9.294 2.309 -1.583 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.309 0.436 1.207 0.00 0.00 +0.006 A ATOM 21 C LIG 1 8.471 0.390 -1.860 0.00 0.00 +0.228 C ATOM 22 O LIG 1 9.012 -0.015 -2.875 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 7.565 -1.862 -0.853 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -1.377 -1.570 0.323 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -0.183 -1.155 -0.135 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 -4.945 0.810 0.494 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -4.103 0.888 -0.623 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.935 0.120 -0.688 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -2.579 -0.728 0.367 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -3.425 -0.814 1.478 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -4.591 -0.046 1.545 0.00 0.00 +0.005 A BRANCH 26 32 ATOM 32 C LIG 1 -6.201 1.655 0.575 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -7.420 0.871 0.848 0.00 0.00 -0.299 NA BRANCH 33 35 ATOM 34 C LIG 1 -9.079 2.753 0.403 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -8.500 1.723 1.368 0.00 0.00 +0.081 C ENDBRANCH 33 35 BRANCH 33 36 ATOM 36 C LIG 1 -7.800 0.050 -0.314 0.00 0.00 +0.081 C ATOM 37 C LIG 1 -8.963 -0.898 -0.037 0.00 0.00 +0.020 C ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 7