REMARK Name = BDB054303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.473 -0.013 1.625 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.678 -0.345 2.729 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.298 -0.123 2.711 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.313 0.435 1.584 0.00 0.00 -0.046 A ATOM 5 C LIG 1 0.479 0.758 0.477 0.00 0.00 +0.005 A ATOM 6 C LIG 1 1.861 0.534 0.497 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 6.066 -0.464 1.222 0.00 0.00 -0.269 N ATOM 8 H LIG 1 6.011 -1.214 1.892 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 4.854 0.090 0.830 0.00 0.00 +0.308 C ATOM 10 N LIG 1 3.855 -0.279 1.722 0.00 0.00 -0.269 N ATOM 11 H LIG 1 4.170 -0.649 2.605 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 4.690 0.796 -0.156 0.00 0.00 -0.252 OA BRANCH 7 16 ATOM 13 C LIG 1 9.949 0.093 -0.368 0.00 0.00 -0.048 A ATOM 14 C LIG 1 9.684 -0.883 0.598 0.00 0.00 +0.005 A ATOM 15 C LIG 1 8.391 -1.045 1.105 0.00 0.00 +0.023 A ATOM 16 C LIG 1 7.337 -0.243 0.651 0.00 0.00 +0.035 A ATOM 17 C LIG 1 7.602 0.731 -0.312 0.00 0.00 +0.023 A ATOM 18 C LIG 1 8.896 0.894 -0.821 0.00 0.00 +0.005 A BRANCH 13 20 ATOM 19 C LIG 1 11.558 -0.615 -2.156 0.00 0.00 +0.009 C ATOM 20 C LIG 1 11.336 0.260 -0.932 0.00 0.00 +0.032 C ENDBRANCH 13 20 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 21 ATOM 21 C LIG 1 -1.805 0.662 1.546 0.00 0.00 +0.054 C BRANCH 21 22 ATOM 22 C LIG 1 -2.534 -0.482 0.832 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 N LIG 1 -3.982 -0.295 0.867 0.00 0.00 -0.328 N ATOM 24 H LIG 1 -4.514 -1.133 1.082 0.00 0.00 +0.147 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.556 0.459 -0.155 0.00 0.00 +0.134 A ATOM 26 C LIG 1 -5.913 0.354 -0.493 0.00 0.00 +0.098 A ATOM 27 C LIG 1 -6.363 1.172 -1.517 0.00 0.00 +0.234 A ATOM 28 O LIG 1 -7.687 0.963 -1.740 0.00 0.00 -0.435 OA ATOM 29 C LIG 1 -8.114 0.010 -0.857 0.00 0.00 +0.157 A ATOM 30 N LIG 1 -5.648 2.054 -2.225 0.00 0.00 -0.200 NA ATOM 31 C LIG 1 -4.375 2.080 -1.823 0.00 0.00 +0.227 A ATOM 32 C LIG 1 -7.047 -0.397 -0.075 0.00 0.00 +0.099 A ATOM 33 CL LIG 1 -7.024 -1.592 1.138 0.00 0.00 -0.079 Cl ATOM 34 N LIG 1 -3.803 1.345 -0.851 0.00 0.00 -0.220 NA BRANCH 29 35 ATOM 35 C LIG 1 -9.532 -0.330 -0.954 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -10.263 -0.738 0.170 0.00 0.00 +0.011 A ATOM 37 C LIG 1 -11.619 -1.065 0.063 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -12.263 -0.984 -1.169 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -11.554 -0.573 -2.295 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -10.199 -0.247 -2.186 0.00 0.00 +0.011 A ENDBRANCH 29 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 8