REMARK Name = BDB024594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.524 0.057 0.747 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.395 0.872 0.553 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.602 2.329 0.698 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.412 2.901 -0.478 0.00 0.00 +0.028 C ATOM 5 C LIG 1 3.314 3.157 0.830 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.282 2.415 1.652 0.00 0.00 +0.041 C ATOM 7 C LIG 1 1.988 1.127 0.941 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.675 0.626 0.812 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.498 1.165 1.262 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.464 0.348 0.879 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.934 -0.752 0.223 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.440 -0.571 0.151 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.479 -1.317 -0.414 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.782 -0.818 -0.275 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.057 0.375 0.406 0.00 0.00 +0.045 A ATOM 16 O LIG 1 6.665 0.496 0.869 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.621 -1.943 -0.279 0.00 0.00 +0.094 C ATOM 18 C LIG 1 -2.643 -1.658 -1.407 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -1.968 -1.768 -2.781 0.00 0.00 +0.011 C ATOM 20 C LIG 1 -3.854 -2.598 -1.301 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -3.423 -3.962 -1.029 0.00 0.00 -0.316 NA ATOM 22 H LIG 1 -4.209 -4.609 -1.103 0.00 0.00 +0.122 HD ATOM 23 C LIG 1 -2.779 -4.113 0.276 0.00 0.00 +0.083 C ATOM 24 C LIG 1 -2.197 -2.816 0.845 0.00 0.00 +0.040 C ENDBRANCH 11 17 BRANCH 1 26 ATOM 25 C LIG 1 6.386 -2.098 1.121 0.00 0.00 +0.282 C ATOM 26 O LIG 1 5.248 -1.275 0.863 0.00 0.00 -0.453 OA ENDBRANCH 1 26 BRANCH 10 27 ATOM 27 C LIG 1 -2.915 0.621 1.164 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -3.616 1.513 0.157 0.00 0.00 -0.040 A ATOM 29 C LIG 1 -2.989 2.640 -0.397 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -3.665 3.458 -1.303 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.982 3.172 -1.657 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -5.627 2.072 -1.098 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.952 1.252 -0.191 0.00 0.00 +0.004 A ENDBRANCH 27 28 ENDBRANCH 10 27 TORSDOF 4