REMARK Name = BDB025212 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.905 -0.107 0.451 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.830 0.253 -0.375 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.190 0.910 -1.640 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.302 -0.102 -2.784 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.243 2.067 -1.942 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.814 1.578 -2.048 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.449 0.641 -0.927 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.084 0.361 -0.682 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.018 0.846 -1.331 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 -1.066 0.287 -0.757 0.00 0.00 +0.123 A ATOM 11 N LIG 1 -0.684 -0.533 0.282 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.706 -0.521 0.318 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.649 -1.194 1.094 0.00 0.00 +0.030 A ATOM 14 C LIG 1 3.002 -0.926 0.839 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.431 -0.006 -0.132 0.00 0.00 +0.045 A ATOM 16 O LIG 1 7.074 -0.117 0.071 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.490 -1.352 1.185 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.709 -0.676 1.842 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -4.041 -1.352 1.507 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -4.024 -2.871 1.764 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -2.674 -3.540 1.516 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -1.789 -2.732 0.582 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -5.168 -0.695 2.287 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -5.643 -1.129 3.326 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.614 0.448 1.726 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -5.109 0.736 0.925 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 10 27 ATOM 27 C LIG 1 -2.500 0.667 -1.303 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -3.397 -0.386 -1.918 0.00 0.00 +0.022 C ATOM 29 C LIG 1 -2.650 0.531 -2.825 0.00 0.00 +0.022 C BRANCH 27 30 ATOM 30 C LIG 1 -3.065 1.952 -0.713 0.00 0.00 +0.073 A ATOM 31 N LIG 1 -4.260 1.929 -0.046 0.00 0.00 -0.256 NA ATOM 32 C LIG 1 -4.720 3.138 0.394 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -4.032 4.322 0.212 0.00 0.00 +0.130 A ATOM 34 N LIG 1 -2.848 4.366 -0.426 0.00 0.00 -0.260 NA ATOM 35 C LIG 1 -2.390 3.170 -0.879 0.00 0.00 +0.135 A ENDBRANCH 27 30 ENDBRANCH 10 27 BRANCH 1 37 ATOM 36 C LIG 1 6.664 -0.684 2.599 0.00 0.00 +0.282 C ATOM 37 O LIG 1 5.564 -0.368 1.743 0.00 0.00 -0.453 OA ENDBRANCH 1 37 TORSDOF 6