REMARK Name = BDB027022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.993 1.467 0.796 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.010 -0.057 0.801 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.175 -0.818 -0.368 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.190 -2.214 -0.314 0.00 0.00 +0.000 A ATOM 5 C LIG 1 1.054 -2.869 0.907 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.908 -2.131 2.079 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.891 -0.736 2.027 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.509 2.131 -0.521 0.00 0.00 +0.186 C ATOM 9 O LIG 1 1.243 2.925 -1.121 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 -4.613 0.203 0.013 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -4.289 0.716 -1.251 0.00 0.00 +0.036 A ATOM 12 C LIG 1 -2.999 1.233 -1.460 0.00 0.00 +0.048 A ATOM 13 C LIG 1 -2.009 1.259 -0.471 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -0.834 1.850 -1.058 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.177 2.178 -2.362 0.00 0.00 +0.095 A ATOM 16 C LIG 1 -2.360 0.751 0.798 0.00 0.00 +0.011 A ATOM 17 N LIG 1 -2.465 1.795 -2.593 0.00 0.00 -0.360 N ATOM 18 H LIG 1 -2.962 1.915 -3.465 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 -3.645 0.230 1.021 0.00 0.00 +0.011 A BRANCH 10 23 ATOM 20 C LIG 1 -9.299 -1.422 -0.306 0.00 0.00 +0.150 C ATOM 21 N LIG 1 -7.986 -1.065 0.166 0.00 0.00 -0.339 N ATOM 22 C LIG 1 -6.980 -0.509 -0.574 0.00 0.00 +0.115 A ATOM 23 C LIG 1 -5.929 -0.350 0.307 0.00 0.00 +0.089 A ATOM 24 N LIG 1 -6.293 -0.803 1.560 0.00 0.00 -0.236 NA ATOM 25 C LIG 1 -7.531 -1.224 1.440 0.00 0.00 +0.199 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 2.287 2.065 1.265 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 2.187 3.073 1.113 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.463 1.636 0.491 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 4.332 0.655 1.290 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 5.499 0.152 0.473 0.00 0.00 -0.046 A ATOM 31 C LIG 1 6.690 0.886 0.403 0.00 0.00 +0.005 A ATOM 32 C LIG 1 7.760 0.425 -0.369 0.00 0.00 +0.019 A ATOM 33 C LIG 1 7.646 -0.773 -1.082 0.00 0.00 +0.052 A ATOM 34 C LIG 1 6.458 -1.507 -1.019 0.00 0.00 +0.019 A ATOM 35 C LIG 1 5.390 -1.046 -0.247 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 8.743 -1.245 -1.874 0.00 0.00 +0.099 C ATOM 37 N LIG 1 9.630 -1.629 -2.517 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9