REMARK Name = BDB024370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.612 1.518 -0.677 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.471 2.982 -1.074 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.757 3.379 -2.391 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.645 4.719 -2.773 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.255 5.684 -1.841 0.00 0.00 +0.052 A ATOM 6 C LIG 1 0.983 5.304 -0.524 0.00 0.00 +0.019 A ATOM 7 C LIG 1 1.095 3.964 -0.142 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 1.142 7.059 -2.232 0.00 0.00 +0.099 C ATOM 9 N LIG 1 1.049 8.171 -2.553 0.00 0.00 -0.191 NA ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 12 ATOM 10 N LIG 1 -0.706 0.735 -0.629 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -0.661 0.894 -1.628 0.00 0.00 +0.156 HD ATOM 12 C LIG 1 0.386 1.036 0.155 0.00 0.00 +0.240 C ATOM 13 O LIG 1 0.433 0.955 1.383 0.00 0.00 -0.273 OA BRANCH 10 17 ATOM 14 C LIG 1 -4.519 -0.643 0.298 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -4.063 -0.333 -0.979 0.00 0.00 +0.121 A ATOM 16 N LIG 1 -2.813 0.115 -1.265 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -1.959 0.274 -0.233 0.00 0.00 +0.125 A ATOM 18 C LIG 1 -2.316 -0.007 1.076 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -3.609 -0.468 1.341 0.00 0.00 +0.013 A BRANCH 14 24 ATOM 20 C LIG 1 -9.001 -2.711 -0.264 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -7.845 -2.040 0.279 0.00 0.00 -0.274 N ATOM 22 N LIG 1 -7.860 -1.629 1.558 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 -6.658 -1.071 1.721 0.00 0.00 +0.143 A ATOM 24 C LIG 1 -5.867 -1.116 0.549 0.00 0.00 +0.021 A ATOM 25 C LIG 1 -6.676 -1.758 -0.368 0.00 0.00 +0.116 A ENDBRANCH 14 24 ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 1 26 ATOM 26 N LIG 1 2.870 1.327 0.079 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 2.695 1.654 1.034 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.270 -0.084 0.130 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.541 -0.245 0.974 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 4.986 -1.688 1.040 0.00 0.00 -0.046 A ATOM 31 C LIG 1 4.457 -2.548 2.012 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.854 -3.887 2.062 0.00 0.00 +0.019 A ATOM 33 C LIG 1 5.780 -4.380 1.137 0.00 0.00 +0.052 A ATOM 34 C LIG 1 6.306 -3.527 0.163 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.909 -2.188 0.113 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 6.186 -5.753 1.187 0.00 0.00 +0.099 C ATOM 37 N LIG 1 6.513 -6.867 1.225 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10