REMARK Name = BDB057455 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.160 0.394 -1.412 0.00 0.00 -0.027 A ATOM 2 C LIG 1 -0.543 1.595 -1.226 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -1.829 1.593 -0.668 0.00 0.00 -0.002 A ATOM 4 C LIG 1 -2.590 2.872 -0.417 0.00 0.00 +0.265 C ATOM 5 O LIG 1 -2.639 3.207 0.971 0.00 0.00 -0.487 OA ATOM 6 C LIG 1 -3.381 2.436 1.832 0.00 0.00 +0.129 A ATOM 7 C LIG 1 -3.936 1.161 1.599 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -3.774 0.441 0.305 0.00 0.00 -0.000 C ATOM 9 C LIG 1 -4.860 0.031 -0.401 0.00 0.00 +0.004 C ATOM 10 C LIG 1 -6.306 0.223 -0.039 0.00 0.00 +0.048 C ATOM 11 C LIG 1 -4.591 0.505 2.660 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -4.736 1.114 3.907 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -4.208 2.381 4.123 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -3.528 3.031 3.094 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.421 0.376 -0.300 0.00 0.00 -0.010 A ATOM 16 C LIG 1 -1.721 -0.821 -0.460 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -0.445 -0.813 -1.026 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 -4.682 -0.524 -1.758 0.00 0.00 +0.179 A ATOM 19 N LIG 1 -4.543 -1.841 -1.890 0.00 0.00 -0.272 N ATOM 20 H LIG 1 -4.513 -2.551 -1.181 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 -4.371 -2.073 -3.199 0.00 0.00 +0.440 A ATOM 22 O LIG 1 -4.175 -3.165 -3.709 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 -4.446 -0.878 -3.869 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 -4.653 0.124 -2.869 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 1.538 0.410 -2.031 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 3.267 -1.322 -1.346 0.00 0.00 +0.111 A ATOM 27 N LIG 1 2.543 -0.168 -1.152 0.00 0.00 -0.329 N ATOM 28 C LIG 1 2.970 0.400 0.024 0.00 0.00 +0.116 A ATOM 29 C LIG 1 3.927 -0.455 0.521 0.00 0.00 +0.089 A ATOM 30 N LIG 1 4.100 -1.514 -0.341 0.00 0.00 -0.232 NA BRANCH 29 31 ATOM 31 C LIG 1 4.678 -0.304 1.760 0.00 0.00 +0.002 A ATOM 32 C LIG 1 4.402 0.715 2.682 0.00 0.00 +0.010 A ATOM 33 C LIG 1 5.145 0.831 3.862 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.171 -0.072 4.134 0.00 0.00 +0.000 A ATOM 35 C LIG 1 6.455 -1.091 3.229 0.00 0.00 +0.001 A ATOM 36 C LIG 1 5.712 -1.206 2.051 0.00 0.00 +0.010 A ENDBRANCH 29 31 BRANCH 26 37 ATOM 37 C LIG 1 3.131 -2.237 -2.520 0.00 0.00 +0.074 C BRANCH 37 39 ATOM 38 C LIG 1 5.454 -1.871 -3.504 0.00 0.00 +0.004 C ATOM 39 C LIG 1 3.950 -1.776 -3.728 0.00 0.00 +0.004 C ENDBRANCH 37 39 ENDBRANCH 26 37 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 6