REMARK Name = BDB024213 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.927 -1.387 -0.152 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.617 -2.679 -0.562 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.848 -2.984 -1.914 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.489 -4.169 -2.279 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.907 -5.066 -1.299 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.682 -4.781 0.046 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.040 -3.596 0.414 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.272 -0.425 0.275 0.00 0.00 -0.268 N ATOM 9 H LIG 1 0.737 0.095 0.954 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.598 -1.375 -0.493 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.106 -2.099 -1.342 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 5.285 0.519 0.185 0.00 0.00 +0.092 A ATOM 13 N LIG 1 4.489 1.173 1.068 0.00 0.00 -0.250 NA ATOM 14 C LIG 1 3.179 0.818 1.051 0.00 0.00 +0.155 A ATOM 15 C LIG 1 2.645 -0.149 0.199 0.00 0.00 +0.143 A ATOM 16 N LIG 1 3.443 -0.789 -0.671 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 4.757 -0.444 -0.665 0.00 0.00 +0.141 A BRANCH 12 22 ATOM 18 C LIG 1 9.611 2.687 1.272 0.00 0.00 +0.172 C ATOM 19 N LIG 1 8.595 1.852 0.680 0.00 0.00 -0.274 N ATOM 20 N LIG 1 8.931 0.991 -0.297 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 7.773 0.397 -0.602 0.00 0.00 +0.144 A ATOM 22 C LIG 1 6.692 0.872 0.175 0.00 0.00 +0.039 A ATOM 23 C LIG 1 7.271 1.819 0.998 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -1.554 -0.188 -0.765 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -0.929 0.612 -0.706 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.853 0.130 -0.167 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.498 1.317 -0.896 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.835 1.682 -0.296 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.941 2.732 0.626 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.178 3.055 1.190 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.321 2.329 0.840 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -7.221 1.279 -0.076 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.984 0.957 -0.640 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -8.589 2.661 1.421 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -9.614 2.930 1.895 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9