REMARK Name = BDB050765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.345 0.114 0.185 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -0.872 0.121 -0.517 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.100 -0.035 0.145 0.00 0.00 +0.019 A ATOM 4 C LIG 1 -2.096 -0.194 1.536 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -0.900 -0.165 2.251 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.311 0.004 1.579 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.378 -0.038 -0.572 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -3.588 0.591 -1.778 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -2.902 1.129 -2.284 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -4.891 0.401 -2.160 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -5.448 -0.354 -1.133 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -6.804 -0.727 -1.218 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -7.542 -0.316 -2.344 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -6.950 0.444 -3.356 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -5.605 0.821 -3.285 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -4.498 -0.605 -0.160 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -7.469 -1.533 -0.168 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -8.651 -1.846 -0.252 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -6.713 -1.919 0.901 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -7.138 -2.476 1.627 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -5.729 -1.668 0.968 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 N LIG 1 1.548 0.334 -0.536 0.00 0.00 -0.313 N ATOM 23 H LIG 1 1.498 -0.120 -1.446 0.00 0.00 +0.152 HD BRANCH 22 28 ATOM 24 C LIG 1 6.822 2.020 2.320 0.00 0.00 +0.046 C ATOM 25 C LIG 1 5.442 2.200 1.741 0.00 0.00 -0.024 A ATOM 26 C LIG 1 4.790 1.113 1.143 0.00 0.00 +0.076 A ATOM 27 C LIG 1 3.501 1.303 0.609 0.00 0.00 +0.022 A ATOM 28 C LIG 1 2.867 0.186 0.004 0.00 0.00 +0.050 A ATOM 29 C LIG 1 3.514 -1.077 -0.022 0.00 0.00 +0.022 A ATOM 30 C LIG 1 4.801 -1.139 0.538 0.00 0.00 +0.073 A ATOM 31 C LIG 1 5.482 -2.349 0.528 0.00 0.00 +0.028 A ATOM 32 C LIG 1 4.924 -3.509 -0.012 0.00 0.00 +0.002 A ATOM 33 C LIG 1 3.649 -3.466 -0.555 0.00 0.00 +0.001 A ATOM 34 C LIG 1 2.947 -2.261 -0.559 0.00 0.00 +0.012 A ATOM 35 C LIG 1 2.905 2.584 0.686 0.00 0.00 +0.012 A ATOM 36 C LIG 1 3.563 3.654 1.283 0.00 0.00 +0.001 A ATOM 37 N LIG 1 5.409 -0.081 1.092 0.00 0.00 -0.246 NA ATOM 38 C LIG 1 4.830 3.462 1.811 0.00 0.00 +0.005 A ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 4