REMARK Name = BDB053370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.579 -0.975 1.257 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -0.141 -1.996 0.616 0.00 0.00 -0.294 N ATOM 3 O LIG 1 0.398 -0.695 2.445 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 2.690 0.470 1.277 0.00 0.00 +0.033 C ATOM 5 C LIG 1 1.584 -0.187 0.400 0.00 0.00 +0.096 C ATOM 6 C LIG 1 0.817 0.825 -0.473 0.00 0.00 +0.094 C ATOM 7 N LIG 1 0.447 2.066 0.206 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 -0.011 2.692 -0.463 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 1.599 2.725 0.801 0.00 0.00 +0.081 C ATOM 10 C LIG 1 2.224 1.823 1.857 0.00 0.00 +0.024 C BRANCH 4 16 ATOM 11 C LIG 1 8.082 0.997 -0.765 0.00 0.00 +0.152 C ATOM 12 N LIG 1 6.705 0.866 -0.318 0.00 0.00 -0.318 N ATOM 13 C LIG 1 5.690 0.747 -1.260 0.00 0.00 +0.251 A ATOM 14 O LIG 1 5.850 0.740 -2.477 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 4.308 0.615 -0.715 0.00 0.00 +0.074 A ATOM 16 C LIG 1 4.064 0.621 0.607 0.00 0.00 -0.037 A ATOM 17 C LIG 1 5.202 0.734 1.510 0.00 0.00 +0.022 A ATOM 18 C LIG 1 6.448 0.853 1.039 0.00 0.00 +0.089 A ENDBRANCH 4 16 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 0.337 -2.665 -0.575 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -0.525 -3.486 -1.500 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -0.002 -2.161 -1.955 0.00 0.00 +0.024 C ENDBRANCH 2 19 BRANCH 2 22 ATOM 22 C LIG 1 -1.257 -2.601 1.352 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 -2.519 -1.859 1.020 0.00 0.00 -0.002 A ATOM 24 C LIG 1 -3.732 -2.396 0.476 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -4.626 -1.332 0.285 0.00 0.00 +0.052 A ATOM 26 C LIG 1 -5.909 -1.532 -0.256 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -6.293 -2.833 -0.601 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -5.428 -3.904 -0.416 0.00 0.00 +0.039 A ATOM 29 N LIG 1 -3.982 -0.188 0.713 0.00 0.00 -0.342 N ATOM 30 C LIG 1 -4.157 -3.691 0.117 0.00 0.00 +0.133 A ATOM 31 F LIG 1 -3.344 -4.745 0.280 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -2.742 -0.506 1.200 0.00 0.00 +0.092 A BRANCH 29 33 ATOM 33 C LIG 1 -4.521 1.170 0.698 0.00 0.00 +0.157 C BRANCH 33 34 ATOM 34 C LIG 1 -3.686 2.108 -0.139 0.00 0.00 -0.025 A ATOM 35 C LIG 1 -3.423 1.845 -1.488 0.00 0.00 +0.025 A ATOM 36 C LIG 1 -2.633 2.735 -2.199 0.00 0.00 +0.111 A ATOM 37 N LIG 1 -2.103 3.859 -1.671 0.00 0.00 -0.263 NA ATOM 38 C LIG 1 -2.387 4.109 -0.374 0.00 0.00 +0.111 A ATOM 39 C LIG 1 -3.159 3.277 0.421 0.00 0.00 +0.025 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7