REMARK Name = BDB010651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.123 1.334 0.689 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.160 0.819 0.785 0.00 0.00 -0.308 N ATOM 3 C LIG 1 -1.026 1.774 0.296 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -0.185 2.768 -0.184 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.603 3.881 -0.807 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -1.934 3.946 -0.925 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.837 3.048 -0.477 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -2.398 1.941 0.162 0.00 0.00 +0.101 A ATOM 9 N LIG 1 1.122 2.487 0.064 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 4.975 2.577 1.329 0.00 0.00 +0.040 C ATOM 11 C LIG 1 4.754 1.073 1.129 0.00 0.00 +0.140 C ATOM 12 C LIG 1 3.444 0.776 0.321 0.00 0.00 +0.135 C ATOM 13 N LIG 1 2.211 0.664 1.164 0.00 0.00 -0.289 N ATOM 14 C LIG 1 2.458 0.847 2.605 0.00 0.00 +0.136 C ATOM 15 C LIG 1 3.675 0.032 3.031 0.00 0.00 +0.179 C ATOM 16 O LIG 1 4.895 0.432 2.409 0.00 0.00 -0.373 OA BRANCH 12 17 ATOM 17 C LIG 1 3.539 -0.480 -0.550 0.00 0.00 -0.025 A ATOM 18 C LIG 1 4.166 -1.660 -0.122 0.00 0.00 +0.005 A ATOM 19 C LIG 1 4.205 -2.788 -0.946 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.617 -2.756 -2.208 0.00 0.00 +0.000 A ATOM 21 C LIG 1 2.988 -1.596 -2.650 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.948 -0.468 -1.827 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 -2.483 5.132 -1.615 0.00 0.00 +0.287 A ATOM 24 O LIG 1 -1.571 6.037 -2.057 0.00 0.00 -0.385 OA ATOM 25 C LIG 1 -2.325 7.006 -2.639 0.00 0.00 +0.436 A ATOM 26 O LIG 1 -1.905 8.018 -3.171 0.00 0.00 -0.221 OA ATOM 27 N LIG 1 -3.627 6.614 -2.505 0.00 0.00 -0.208 N ATOM 28 H LIG 1 -4.432 7.126 -2.839 0.00 0.00 +0.195 HD ATOM 29 N LIG 1 -3.728 5.425 -1.855 0.00 0.00 -0.127 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 C LIG 1 -3.424 1.045 0.675 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -4.179 0.248 -0.199 0.00 0.00 +0.030 A ATOM 32 C LIG 1 -5.150 -0.621 0.297 0.00 0.00 +0.042 A ATOM 33 CL LIG 1 -6.035 -1.620 -0.789 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -5.402 -0.695 1.665 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.682 0.112 2.544 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -3.702 0.978 2.052 0.00 0.00 +0.010 A ENDBRANCH 8 30 BRANCH 2 37 ATOM 37 C LIG 1 -0.490 -0.520 1.243 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.114 -1.657 0.272 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -0.742 -1.462 -1.121 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -0.878 -2.786 -1.863 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.851 -3.730 -1.137 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -1.571 -5.180 -1.533 0.00 0.00 +0.007 C ATOM 43 C LIG 1 -1.819 -3.548 0.392 0.00 0.00 +0.003 C ATOM 44 C LIG 1 -0.469 -3.030 0.881 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 6