REMARK Name = BDB024251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.981 0.101 -0.156 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.325 -1.347 -0.474 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.722 -2.218 0.554 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.047 -3.546 0.275 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.980 -4.022 -1.032 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.587 -3.171 -2.063 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.262 -1.842 -1.787 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.415 0.148 0.372 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.112 -0.233 1.257 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.481 0.415 -0.608 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.732 0.835 -1.738 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.543 0.507 0.458 0.00 0.00 +0.085 A ATOM 13 C LIG 1 4.770 0.032 1.506 0.00 0.00 +0.140 A ATOM 14 N LIG 1 3.419 -0.076 1.455 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.798 0.301 0.316 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.492 0.791 -0.780 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.883 0.894 -0.708 0.00 0.00 +0.033 A BRANCH 12 21 ATOM 18 C LIG 1 10.141 1.400 -0.734 0.00 0.00 +0.090 C ATOM 19 C LIG 1 8.943 0.991 0.028 0.00 0.00 +0.148 A ATOM 20 N LIG 1 7.705 1.068 -0.468 0.00 0.00 -0.150 NA ATOM 21 N LIG 1 6.949 0.600 0.555 0.00 0.00 -0.219 N ATOM 22 C LIG 1 7.770 0.268 1.605 0.00 0.00 +0.225 A ATOM 23 N LIG 1 9.025 0.504 1.302 0.00 0.00 -0.219 NA ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.882 1.093 -0.784 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -1.694 1.085 -1.790 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.313 0.898 -0.543 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.727 1.087 0.923 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.218 0.927 1.107 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -6.054 2.051 1.142 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -7.434 1.901 1.297 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.993 0.624 1.413 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.164 -0.501 1.372 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.784 -0.350 1.218 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -9.409 0.469 1.573 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -10.556 0.343 1.703 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9