REMARK Name = BDB027136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.597 -1.232 -1.116 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.629 -2.756 -1.109 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.945 -3.447 -2.292 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.992 -4.842 -2.312 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.732 -5.565 -1.150 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.431 -4.894 0.033 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.384 -3.499 0.057 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.540 -0.612 -0.153 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.854 -0.068 0.908 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.554 0.546 1.135 0.00 0.00 +0.039 A ATOM 11 C LIG 1 4.452 -0.158 -0.074 0.00 0.00 +0.039 A ATOM 12 C LIG 1 3.167 -0.508 -0.508 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.011 -0.197 0.211 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.886 -0.704 -0.530 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.409 -1.306 -1.663 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.152 0.492 1.437 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.773 -1.189 -1.633 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.405 -1.554 -2.333 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.426 0.850 1.895 0.00 0.00 +0.014 A BRANCH 10 22 ATOM 20 C LIG 1 8.058 1.989 1.355 0.00 0.00 +0.132 C ATOM 21 N LIG 1 6.720 1.714 0.864 0.00 0.00 -0.304 N ATOM 22 C LIG 1 5.887 0.923 1.656 0.00 0.00 +0.246 C ATOM 23 O LIG 1 6.204 0.498 2.764 0.00 0.00 -0.270 OA ATOM 24 C LIG 1 6.250 2.571 -0.217 0.00 0.00 +0.132 C ENDBRANCH 10 22 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -2.947 -0.623 -0.986 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.505 -0.897 -1.792 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.683 -0.978 0.233 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.019 -0.213 0.327 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.966 1.300 0.395 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -3.876 1.996 0.936 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.881 3.393 1.005 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.985 4.114 0.546 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.086 3.433 0.023 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.077 2.037 -0.046 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -4.990 5.546 0.615 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -4.999 6.706 0.667 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9