REMARK Name = BDB024966 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.401 0.185 1.136 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.691 0.079 -0.074 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.321 0.518 -1.344 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.459 -0.431 -1.760 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.363 0.632 -2.540 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.026 1.188 -2.107 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.457 0.244 -1.089 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.087 -0.096 -1.078 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.096 0.300 -1.935 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.020 -0.264 -1.509 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.771 -1.054 -0.400 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.579 -0.944 -0.104 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.392 -1.489 0.892 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.750 -1.142 0.879 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.298 -0.284 -0.085 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.983 -0.102 2.253 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.700 -1.897 0.351 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.886 -1.142 0.968 0.00 0.00 +0.039 C ATOM 19 C LIG 1 -3.701 -2.032 1.926 0.00 0.00 +0.100 C ATOM 20 C LIG 1 -3.665 -3.521 1.553 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -3.466 -3.726 0.055 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.134 -3.152 -0.430 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -3.284 -1.853 3.368 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.040 -1.763 4.321 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -1.951 -1.855 3.552 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -1.845 -1.735 4.521 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 7.408 0.863 2.161 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.653 0.706 0.959 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.344 -0.060 -2.187 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.155 1.125 -1.695 0.00 0.00 -0.035 A ATOM 31 C LIG 1 -2.561 2.288 -1.178 0.00 0.00 +0.049 A ATOM 32 C LIG 1 -3.333 3.376 -0.752 0.00 0.00 +0.122 A ATOM 33 C LIG 1 -4.720 3.316 -0.858 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -5.320 2.177 -1.393 0.00 0.00 +0.045 A ATOM 35 CL LIG 1 -7.035 2.104 -1.533 0.00 0.00 -0.083 Cl ATOM 36 C LIG 1 -4.551 1.093 -1.815 0.00 0.00 +0.024 A BRANCH 32 37 ATOM 37 O LIG 1 -2.611 4.427 -0.257 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -3.341 5.565 0.184 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 7