REMARK Name = BDB024357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.305 -1.902 0.999 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.608 -2.583 -0.329 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.480 -1.919 -1.561 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.770 -2.577 -2.758 0.00 0.00 +0.000 A ATOM 5 C LIG 1 2.204 -3.900 -2.741 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.356 -4.566 -1.528 0.00 0.00 +0.000 A ATOM 7 C LIG 1 2.065 -3.911 -0.330 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -1.010 -1.348 0.387 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -1.002 -2.271 -0.029 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.141 -0.864 0.973 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.255 0.245 1.497 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.759 0.332 -0.225 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -4.372 -0.935 -0.642 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -3.143 -1.470 -0.431 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -2.238 -0.712 0.223 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.528 0.567 0.675 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -3.803 1.092 0.447 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -7.713 -1.129 0.145 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -7.373 0.231 -0.344 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -6.092 0.837 -0.478 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -6.359 2.107 -0.945 0.00 0.00 +0.116 A ATOM 22 N LIG 1 -7.713 2.189 -1.071 0.00 0.00 -0.274 N ATOM 23 C LIG 1 -8.476 3.323 -1.534 0.00 0.00 +0.172 C ATOM 24 N LIG 1 -8.354 1.064 -0.717 0.00 0.00 -0.176 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 2.508 -1.348 1.679 0.00 0.00 -0.301 NA ATOM 26 H LIG 1 2.154 -0.834 2.490 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.279 -0.408 0.850 0.00 0.00 +0.089 C BRANCH 27 28 ATOM 28 C LIG 1 4.421 0.279 1.642 0.00 0.00 +0.030 C ATOM 29 C LIG 1 3.908 1.149 2.796 0.00 0.00 +0.014 C BRANCH 28 30 ATOM 30 C LIG 1 5.303 1.090 0.699 0.00 0.00 -0.043 A ATOM 31 C LIG 1 6.615 0.666 0.438 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.439 1.387 -0.430 0.00 0.00 +0.019 A ATOM 33 C LIG 1 6.961 2.543 -1.053 0.00 0.00 +0.052 A ATOM 34 C LIG 1 5.655 2.973 -0.803 0.00 0.00 +0.019 A ATOM 35 C LIG 1 4.832 2.250 0.065 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 7.804 3.283 -1.944 0.00 0.00 +0.099 C ATOM 37 N LIG 1 8.486 3.883 -2.667 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9