REMARK Name = BDB024252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.419 -1.476 -1.079 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.205 -2.841 -1.720 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.625 -3.067 -3.041 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.431 -4.309 -3.647 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.825 -5.345 -2.938 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.421 -5.142 -1.620 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.615 -3.901 -1.011 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.910 -0.727 -1.171 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.799 -0.992 -2.139 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.145 -1.001 -0.312 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.139 -0.908 0.914 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.650 0.765 -0.127 0.00 0.00 +0.085 A ATOM 13 C LIG 1 3.618 0.638 0.791 0.00 0.00 +0.140 A ATOM 14 N LIG 1 2.390 0.155 0.477 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 2.159 -0.228 -0.788 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.139 -0.129 -1.773 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.401 0.372 -1.441 0.00 0.00 +0.033 A BRANCH 12 21 ATOM 18 C LIG 1 8.107 2.596 2.705 0.00 0.00 +0.090 C ATOM 19 C LIG 1 7.398 2.075 1.519 0.00 0.00 +0.148 A ATOM 20 N LIG 1 6.127 1.663 1.565 0.00 0.00 -0.150 NA ATOM 21 N LIG 1 5.897 1.279 0.286 0.00 0.00 -0.219 N ATOM 22 C LIG 1 7.035 1.480 -0.456 0.00 0.00 +0.225 A ATOM 23 N LIG 1 7.992 1.979 0.292 0.00 0.00 -0.219 NA ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.596 -1.522 -0.182 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.265 -1.914 0.705 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.132 -0.180 0.076 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -4.266 -0.250 1.107 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.849 1.115 1.389 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.230 1.972 2.310 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -4.756 3.242 2.560 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.905 3.669 1.888 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.524 2.821 0.965 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.997 1.551 0.715 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -6.445 4.973 2.142 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -6.883 6.029 2.344 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9