REMARK Name = BDB004626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.423 1.020 -2.081 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.841 -0.221 -1.597 0.00 0.00 +0.050 A ATOM 3 C LIG 1 1.551 -1.112 -2.422 0.00 0.00 -0.027 A ATOM 4 C LIG 1 1.855 -0.731 -3.736 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.434 0.506 -4.224 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.714 1.372 -3.400 0.00 0.00 +0.045 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -0.292 1.951 -1.379 0.00 0.00 -0.491 OA BRANCH 7 8 ATOM 8 C LIG 1 -0.266 1.834 0.045 0.00 0.00 +0.244 C BRANCH 8 9 ATOM 9 C LIG 1 -1.030 3.019 0.671 0.00 0.00 +0.125 C BRANCH 9 14 ATOM 10 C LIG 1 -6.190 0.685 0.479 0.00 0.00 +0.403 C ATOM 11 N LIG 1 -4.967 1.320 0.463 0.00 0.00 -0.265 N ATOM 12 C LIG 1 -3.854 0.773 1.230 0.00 0.00 +0.126 C ATOM 13 C LIG 1 -2.921 1.869 1.780 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -2.490 2.884 0.802 0.00 0.00 -0.296 NA ATOM 15 C LIG 1 -3.197 2.798 -0.485 0.00 0.00 +0.103 C ATOM 16 C LIG 1 -4.705 2.539 -0.303 0.00 0.00 +0.126 C ATOM 17 O LIG 1 -6.404 -0.361 1.080 0.00 0.00 -0.226 OA BRANCH 10 18 ATOM 18 O LIG 1 -7.129 1.356 -0.245 0.00 0.00 -0.451 OA BRANCH 18 20 ATOM 19 C LIG 1 -8.464 -0.276 -1.430 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -8.424 0.745 -0.307 0.00 0.00 +0.230 C ENDBRANCH 18 20 ENDBRANCH 10 18 ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 21 ATOM 21 C LIG 1 1.976 -2.463 -1.896 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 3.380 -2.475 -1.505 0.00 0.00 -0.324 N ATOM 23 H LIG 1 3.943 -1.906 -2.130 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.695 -2.140 -0.173 0.00 0.00 +0.130 A ATOM 25 C LIG 1 5.038 -2.223 0.257 0.00 0.00 +0.041 A ATOM 26 C LIG 1 5.299 -1.851 1.589 0.00 0.00 +0.088 A ATOM 27 C LIG 1 6.635 -1.921 2.034 0.00 0.00 +0.063 A ATOM 28 C LIG 1 7.669 -2.372 1.192 0.00 0.00 +0.015 A ATOM 29 C LIG 1 7.399 -2.752 -0.111 0.00 0.00 +0.002 A ATOM 30 N LIG 1 4.291 -1.460 2.400 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 3.051 -1.464 1.902 0.00 0.00 +0.223 A ATOM 32 C LIG 1 6.095 -2.672 -0.577 0.00 0.00 +0.013 A ATOM 33 N LIG 1 2.703 -1.787 0.658 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 7.052 -1.533 3.416 0.00 0.00 +0.244 C ATOM 35 O LIG 1 8.165 -1.801 3.853 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 6.167 -0.851 4.194 0.00 0.00 -0.325 N ATOM 37 H LIG 1 5.184 -0.826 3.930 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 6.406 -0.723 5.166 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 10