REMARK Name = BDB064657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.493 1.266 0.873 0.00 0.00 +0.234 C ATOM 2 N LIG 1 0.548 2.143 1.077 0.00 0.00 -0.302 N ATOM 3 H LIG 1 0.353 3.120 1.287 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.324 0.144 0.399 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -3.387 1.212 -0.441 0.00 0.00 +0.241 C ATOM 6 N LIG 1 -2.963 0.990 0.847 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -1.858 1.779 1.382 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -1.969 1.584 2.887 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -2.434 0.135 3.016 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -3.300 -0.095 1.768 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.834 2.098 -1.111 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 O LIG 1 -3.176 -0.036 4.214 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 -2.562 0.074 4.960 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -4.574 0.465 -1.070 0.00 0.00 +0.200 C BRANCH 14 19 ATOM 15 C LIG 1 -3.193 -4.327 -1.539 0.00 0.00 +0.069 C ATOM 16 C LIG 1 -3.825 -3.044 -1.182 0.00 0.00 +0.080 A ATOM 17 N LIG 1 -4.854 -2.986 -0.282 0.00 0.00 -0.135 NA ATOM 18 N LIG 1 -5.223 -1.719 -0.154 0.00 0.00 -0.065 NA ATOM 19 N LIG 1 -4.436 -0.977 -0.953 0.00 0.00 -0.239 N ATOM 20 C LIG 1 -3.550 -1.772 -1.630 0.00 0.00 +0.134 A ENDBRANCH 14 19 BRANCH 14 21 ATOM 21 C LIG 1 -5.977 1.129 -0.804 0.00 0.00 -0.007 C ATOM 22 C LIG 1 -7.070 0.430 -1.647 0.00 0.00 +0.013 C ATOM 23 C LIG 1 -6.413 1.128 0.669 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -5.939 2.607 -1.268 0.00 0.00 +0.013 C ENDBRANCH 14 21 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 25 ATOM 25 C LIG 1 1.893 1.856 0.572 0.00 0.00 +0.163 C BRANCH 25 26 ATOM 26 C LIG 1 2.611 3.212 0.444 0.00 0.00 +0.231 C ATOM 27 O LIG 1 2.172 4.245 0.948 0.00 0.00 -0.274 OA ATOM 28 N LIG 1 3.773 3.228 -0.266 0.00 0.00 -0.328 N ATOM 29 H LIG 1 4.173 2.403 -0.696 0.00 0.00 +0.145 HD ATOM 30 H LIG 1 4.260 4.109 -0.369 0.00 0.00 +0.145 HD ENDBRANCH 25 26 BRANCH 25 31 ATOM 31 C LIG 1 2.647 0.907 1.518 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 3.819 0.209 0.868 0.00 0.00 -0.045 A ATOM 33 C LIG 1 3.604 -0.759 -0.119 0.00 0.00 +0.004 A ATOM 34 C LIG 1 4.685 -1.392 -0.740 0.00 0.00 +0.009 A ATOM 35 C LIG 1 6.008 -1.081 -0.388 0.00 0.00 -0.018 A ATOM 36 C LIG 1 6.211 -0.116 0.611 0.00 0.00 +0.009 A ATOM 37 C LIG 1 5.133 0.520 1.235 0.00 0.00 +0.004 A BRANCH 35 38 ATOM 38 C LIG 1 7.145 -1.749 -1.042 0.00 0.00 -0.018 A ATOM 39 C LIG 1 7.260 -1.778 -2.443 0.00 0.00 +0.008 A ATOM 40 C LIG 1 8.340 -2.411 -3.065 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.324 -3.027 -2.296 0.00 0.00 +0.000 A ATOM 42 C LIG 1 9.229 -3.011 -0.907 0.00 0.00 +0.001 A ATOM 43 C LIG 1 8.149 -2.377 -0.287 0.00 0.00 +0.008 A ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 2 25 TORSDOF 10