REMARK Name = BDB027140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.710 -1.327 -0.184 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -0.468 -1.784 0.939 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 0.257 -0.450 -0.861 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.483 0.067 -0.319 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.086 0.848 -1.305 0.00 0.00 +0.048 A ATOM 6 C LIG 1 3.306 1.510 -1.112 0.00 0.00 +0.039 A ATOM 7 C LIG 1 3.944 1.364 0.130 0.00 0.00 +0.039 A ATOM 8 C LIG 1 3.357 0.603 1.144 0.00 0.00 +0.014 A ATOM 9 N LIG 1 1.269 0.813 -2.408 0.00 0.00 -0.360 N ATOM 10 H LIG 1 1.463 1.288 -3.280 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 2.136 -0.050 0.928 0.00 0.00 +0.011 A ATOM 12 C LIG 1 0.167 0.040 -2.154 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 C LIG 1 5.242 2.069 0.327 0.00 0.00 +0.244 C ATOM 14 N LIG 1 6.123 1.502 1.226 0.00 0.00 -0.304 N ATOM 15 H LIG 1 5.941 0.552 1.531 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 5.506 3.078 -0.317 0.00 0.00 -0.270 OA BRANCH 14 17 ATOM 17 C LIG 1 7.482 2.070 1.419 0.00 0.00 +0.124 C ATOM 18 C LIG 1 8.370 1.298 2.404 0.00 0.00 +0.184 C ATOM 19 O LIG 1 9.100 0.675 1.318 0.00 0.00 -0.376 OA ATOM 20 C LIG 1 8.517 1.617 0.378 0.00 0.00 +0.184 C ENDBRANCH 14 17 ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 C LIG 1 -2.045 -1.671 -0.905 0.00 0.00 +0.156 C BRANCH 21 22 ATOM 22 C LIG 1 -1.864 -2.775 -1.939 0.00 0.00 -0.023 A ATOM 23 C LIG 1 -2.519 -2.680 -3.178 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -2.373 -3.681 -4.141 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -1.581 -4.795 -3.874 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -0.942 -4.915 -2.642 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -1.087 -3.916 -1.677 0.00 0.00 +0.005 A ENDBRANCH 21 22 BRANCH 21 28 ATOM 28 N LIG 1 -3.087 -2.089 0.072 0.00 0.00 -0.303 NA ATOM 29 H LIG 1 -2.632 -2.756 0.702 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 -3.605 -0.979 0.881 0.00 0.00 +0.086 C BRANCH 30 31 ATOM 31 C LIG 1 -4.628 -0.119 0.124 0.00 0.00 +0.050 C BRANCH 31 35 ATOM 32 C LIG 1 -6.250 2.967 2.674 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -5.066 3.193 1.966 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.544 2.197 1.137 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.202 0.966 1.005 0.00 0.00 -0.046 A ATOM 36 C LIG 1 -6.385 0.744 1.723 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -6.908 1.740 2.551 0.00 0.00 +0.019 A BRANCH 32 39 ATOM 38 N LIG 1 -7.220 4.818 4.212 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 -6.786 3.990 3.524 0.00 0.00 +0.099 C ENDBRANCH 32 39 ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 21 28 ENDBRANCH 1 21 TORSDOF 10