REMARK Name = BDB006462 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.871 0.291 -1.645 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.442 0.014 -2.952 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.064 -0.103 -3.222 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.682 -0.381 -4.398 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.016 -0.377 -4.060 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -2.111 -0.088 -2.721 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.849 0.071 -2.178 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.436 0.366 -0.870 0.00 0.00 +0.027 A ATOM 9 C LIG 1 0.937 0.478 -0.621 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 3.770 0.058 -0.141 0.00 0.00 -0.305 N ATOM 11 H LIG 1 3.132 -0.395 0.497 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.335 0.405 -1.401 0.00 0.00 +0.245 C ATOM 13 O LIG 1 4.083 0.763 -2.304 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 5.180 0.060 0.222 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 5.473 -1.205 1.017 0.00 0.00 -0.027 A ATOM 16 C LIG 1 5.207 -1.310 2.392 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.461 -2.500 3.079 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.973 -3.604 2.400 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.226 -3.522 1.034 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.974 -2.334 0.346 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 5.550 2.589 0.087 0.00 0.00 +0.006 C ATOM 22 C LIG 1 5.564 1.350 0.975 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -3.373 -0.032 -1.979 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.766 1.368 -1.544 0.00 0.00 -0.020 A ATOM 25 C LIG 1 -4.394 1.596 -0.295 0.00 0.00 -0.013 A ATOM 26 C LIG 1 -4.759 2.910 0.057 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -4.531 3.980 -0.807 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -3.939 3.754 -2.043 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.568 2.461 -2.412 0.00 0.00 +0.006 A BRANCH 25 30 ATOM 30 C LIG 1 -4.689 0.513 0.654 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -3.880 0.313 1.784 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.161 -0.712 2.691 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -5.255 -1.554 2.473 0.00 0.00 +0.059 A ATOM 34 C LIG 1 -6.085 -1.354 1.365 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -5.799 -0.327 0.461 0.00 0.00 +0.009 A BRANCH 33 36 ATOM 36 C LIG 1 -5.529 -2.623 3.461 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -5.389 -2.470 4.661 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.902 -3.787 2.891 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -5.802 -3.818 1.922 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 25 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9