REMARK Name = BDB050770 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.142 -0.547 0.743 0.00 0.00 +0.032 A ATOM 2 C LIG 1 -1.380 -0.050 0.310 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -2.005 1.037 0.945 0.00 0.00 +0.019 A ATOM 4 C LIG 1 -1.356 1.643 2.027 0.00 0.00 +0.011 A ATOM 5 C LIG 1 -0.108 1.182 2.448 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.499 0.104 1.802 0.00 0.00 +0.023 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.311 1.487 0.453 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -3.868 2.715 0.725 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -3.441 3.441 1.278 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -5.084 2.801 0.096 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -5.215 1.589 -0.578 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -6.378 1.363 -1.336 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -7.364 2.369 -1.389 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -7.194 3.572 -0.700 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -6.045 3.815 0.059 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -4.119 0.795 -0.328 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -6.555 0.101 -2.082 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -5.658 -0.436 -2.714 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -7.810 -0.450 -2.039 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -8.470 -0.190 -1.320 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -7.885 -1.381 -2.429 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 22 N LIG 1 0.462 -1.605 0.015 0.00 0.00 -0.313 N ATOM 23 H LIG 1 -0.258 -2.204 -0.386 0.00 0.00 +0.152 HD BRANCH 22 36 ATOM 24 C LIG 1 4.519 -0.456 -0.864 0.00 0.00 -0.047 A ATOM 25 C LIG 1 3.196 -0.827 -0.595 0.00 0.00 +0.015 A ATOM 26 C LIG 1 2.887 -1.974 0.177 0.00 0.00 +0.022 A ATOM 27 C LIG 1 3.937 -2.761 0.677 0.00 0.00 +0.073 A ATOM 28 N LIG 1 3.736 -3.865 1.410 0.00 0.00 -0.247 NA ATOM 29 C LIG 1 2.484 -4.250 1.699 0.00 0.00 +0.073 A ATOM 30 C LIG 1 1.344 -3.548 1.267 0.00 0.00 +0.022 A ATOM 31 C LIG 1 0.064 -4.025 1.648 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -0.078 -5.176 2.423 0.00 0.00 +0.001 A ATOM 33 C LIG 1 1.053 -5.865 2.832 0.00 0.00 +0.002 A ATOM 34 C LIG 1 2.316 -5.395 2.468 0.00 0.00 +0.028 A ATOM 35 C LIG 1 5.245 -2.380 0.406 0.00 0.00 +0.028 A ATOM 36 C LIG 1 1.565 -2.390 0.476 0.00 0.00 +0.050 A ATOM 37 C LIG 1 5.546 -1.244 -0.350 0.00 0.00 +0.006 A BRANCH 24 38 ATOM 38 C LIG 1 4.818 0.784 -1.669 0.00 0.00 +0.035 C BRANCH 38 39 ATOM 39 C LIG 1 4.795 2.040 -0.793 0.00 0.00 +0.004 C BRANCH 39 41 ATOM 40 C LIG 1 4.210 3.701 -2.638 0.00 0.00 +0.004 C ATOM 41 C LIG 1 5.195 3.309 -1.548 0.00 0.00 -0.003 C ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 24 38 ENDBRANCH 22 36 ENDBRANCH 1 22 TORSDOF 7