REMARK Name = BDB010450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.782 -0.505 0.735 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.416 -0.260 0.855 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.231 -0.543 2.047 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.558 -0.246 1.990 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.778 0.130 0.753 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.373 -1.051 3.133 0.00 0.00 -0.208 NA ATOM 7 C LIG 1 -1.677 -1.293 2.944 0.00 0.00 +0.164 A ATOM 8 N LIG 1 0.590 0.233 0.051 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.379 -1.046 1.818 0.00 0.00 -0.213 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.978 0.468 0.206 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.625 -0.520 -0.713 0.00 0.00 +0.132 C ATOM 12 C LIG 1 4.855 0.155 -1.390 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.774 0.759 -0.461 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 5.100 1.700 0.386 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.947 1.049 1.161 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.918 -1.873 -0.063 0.00 0.00 -0.025 A ATOM 17 C LIG 1 5.147 -2.183 0.541 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.370 -3.438 1.116 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.369 -4.404 1.102 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.141 -4.117 0.513 0.00 0.00 +0.000 A ATOM 21 C LIG 1 2.919 -2.865 -0.064 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.508 -0.249 -0.416 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.166 0.554 -0.923 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -4.646 0.672 0.444 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.971 -0.354 -0.463 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.503 -1.763 -0.200 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -3.989 -2.889 -1.142 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -5.401 -3.502 -1.062 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.920 -2.083 -0.755 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.425 -1.896 4.118 0.00 0.00 +0.207 C BRANCH 30 31 ATOM 31 O LIG 1 -1.623 -1.923 5.323 0.00 0.00 -0.382 OA ATOM 32 H LIG 1 -0.748 -1.569 5.057 0.00 0.00 +0.210 HD ENDBRANCH 30 31 BRANCH 30 33 ATOM 33 C LIG 1 -2.841 -3.337 3.816 0.00 0.00 +0.195 C BRANCH 33 34 ATOM 34 O LIG 1 -3.519 -3.900 4.946 0.00 0.00 -0.392 OA ATOM 35 H LIG 1 -2.988 -3.627 5.721 0.00 0.00 +0.210 HD ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 7 30 BRANCH 8 36 ATOM 36 C LIG 1 0.430 0.812 -1.270 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 -0.069 2.273 -1.246 0.00 0.00 +0.009 C ATOM 38 C LIG 1 -0.543 2.715 -2.646 0.00 0.00 +0.005 C ATOM 39 C LIG 1 0.536 3.474 -3.412 0.00 0.00 +0.003 C ATOM 40 C LIG 1 0.972 4.757 -2.680 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.233 5.985 -3.214 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.796 4.654 -1.155 0.00 0.00 +0.003 C ATOM 43 C LIG 1 1.003 3.224 -0.672 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 11