REMARK Name = BDB024992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.650 0.930 -1.242 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.958 0.105 -0.339 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.696 -1.065 0.183 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.795 -0.640 1.172 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.825 -2.128 0.872 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.499 -2.278 0.157 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.810 -0.945 0.210 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.429 -0.825 0.471 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.508 -1.811 0.706 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.656 -1.207 0.867 0.00 0.00 +0.117 A ATOM 11 N LIG 1 -0.501 0.168 0.807 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.828 0.424 0.513 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.551 1.600 0.291 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.920 1.472 0.017 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.558 0.226 -0.045 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.849 0.812 -1.485 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.509 1.210 1.004 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.546 1.256 -0.128 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.536 2.424 0.025 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.950 2.685 1.480 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.627 1.519 2.407 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.131 1.210 2.415 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -2.962 3.698 -0.573 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -1.770 3.942 -0.670 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -3.914 4.575 -0.965 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.829 4.262 -0.835 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 5.559 2.638 -2.856 0.00 0.00 +0.282 C ATOM 28 O LIG 1 4.870 1.839 -1.894 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -1.936 -1.954 1.098 0.00 0.00 +0.130 C BRANCH 29 30 ATOM 30 C LIG 1 -2.601 -2.445 -0.170 0.00 0.00 +0.052 A ATOM 31 N LIG 1 -3.907 -2.111 -0.344 0.00 0.00 -0.217 NA ATOM 32 C LIG 1 -4.521 -2.562 -1.459 0.00 0.00 +0.215 A ATOM 33 C LIG 1 -3.897 -3.333 -2.424 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -2.566 -3.679 -2.230 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -1.909 -3.236 -1.087 0.00 0.00 +0.024 A BRANCH 32 36 ATOM 36 O LIG 1 -5.846 -2.249 -1.690 0.00 0.00 -0.480 OA ATOM 37 C LIG 1 -6.457 -1.579 -0.593 0.00 0.00 +0.279 C ENDBRANCH 32 36 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7