REMARK Name = BDB053377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.612 -1.366 -0.487 0.00 0.00 -0.294 N ATOM 2 C LIG 1 -1.862 -1.504 -1.109 0.00 0.00 +0.221 C ATOM 3 O LIG 1 -2.424 -2.602 -1.200 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 -2.527 -0.269 -1.724 0.00 0.00 +0.096 C ATOM 5 C LIG 1 -4.079 -0.336 -1.609 0.00 0.00 +0.033 C ATOM 6 C LIG 1 -4.708 0.381 -2.816 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -4.301 -0.307 -4.123 0.00 0.00 +0.081 C ATOM 8 N LIG 1 -2.930 -0.828 -4.136 0.00 0.00 -0.315 NA ATOM 9 H LIG 1 -2.957 -1.821 -3.883 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 -2.063 -0.130 -3.186 0.00 0.00 +0.094 C BRANCH 5 11 ATOM 11 C LIG 1 -4.538 0.193 -0.252 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -4.945 1.453 -0.018 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -5.356 1.897 1.345 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -5.716 3.061 1.506 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 -5.295 0.930 2.343 0.00 0.00 -0.318 N ATOM 16 C LIG 1 -5.664 1.285 3.703 0.00 0.00 +0.152 C ATOM 17 C LIG 1 -4.893 -0.366 2.083 0.00 0.00 +0.089 A ATOM 18 C LIG 1 -4.533 -0.750 0.853 0.00 0.00 +0.022 A ENDBRANCH 5 11 ENDBRANCH 2 4 BRANCH 1 19 ATOM 19 C LIG 1 0.018 -2.581 0.019 0.00 0.00 +0.077 C ATOM 20 C LIG 1 0.456 -2.721 1.457 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.699 -3.523 0.958 0.00 0.00 +0.024 C ENDBRANCH 1 19 BRANCH 1 22 ATOM 22 C LIG 1 0.300 -0.241 -0.762 0.00 0.00 +0.144 C BRANCH 22 25 ATOM 23 C LIG 1 3.313 0.296 1.520 0.00 0.00 -0.044 A ATOM 24 C LIG 1 2.497 -0.092 0.450 0.00 0.00 +0.010 A ATOM 25 C LIG 1 1.123 0.223 0.421 0.00 0.00 -0.010 A ATOM 26 C LIG 1 0.570 0.953 1.492 0.00 0.00 +0.064 A ATOM 27 CL LIG 1 -1.115 1.361 1.484 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 1.388 1.346 2.563 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 0.784 2.242 3.916 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 2.748 1.021 2.573 0.00 0.00 +0.025 A BRANCH 23 31 ATOM 31 C LIG 1 4.784 -0.041 1.522 0.00 0.00 +0.054 C BRANCH 31 32 ATOM 32 C LIG 1 5.612 1.015 0.792 0.00 0.00 +0.112 C BRANCH 32 34 ATOM 33 C LIG 1 7.871 1.195 -0.146 0.00 0.00 +0.400 C ATOM 34 N LIG 1 7.019 0.681 0.786 0.00 0.00 -0.281 N ATOM 35 H LIG 1 7.476 0.373 1.635 0.00 0.00 +0.152 HD ATOM 36 O LIG 1 7.539 1.817 -1.143 0.00 0.00 -0.226 OA BRANCH 33 38 ATOM 37 C LIG 1 10.129 1.413 -0.685 0.00 0.00 +0.282 C ATOM 38 O LIG 1 9.144 0.916 0.222 0.00 0.00 -0.454 OA ENDBRANCH 33 38 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 23 31 ENDBRANCH 22 25 ENDBRANCH 1 22 TORSDOF 9