REMARK Name = BDB053536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.583 0.453 0.961 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -3.912 1.060 2.048 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -4.353 1.427 3.423 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -3.474 2.563 4.005 0.00 0.00 +0.043 C ATOM 5 C LIG 1 -2.013 2.471 3.633 0.00 0.00 -0.001 A ATOM 6 C LIG 1 -1.590 1.869 2.456 0.00 0.00 +0.097 A ATOM 7 N LIG 1 -0.312 1.793 2.053 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 0.598 2.374 2.851 0.00 0.00 +0.220 A ATOM 9 N LIG 1 0.284 3.017 3.992 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 -1.010 3.051 4.363 0.00 0.00 +0.120 A ATOM 11 C LIG 1 -2.612 1.261 1.624 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -2.567 0.821 0.334 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -1.451 0.855 -0.581 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -3.751 0.321 -0.097 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -6.264 -0.620 -0.317 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -5.541 -0.405 -1.000 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -5.990 0.012 0.887 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -6.791 0.253 1.784 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -8.458 -1.721 -0.070 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -7.565 -0.892 -0.785 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -7.944 -0.364 -2.043 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -9.234 -0.620 -2.537 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -10.135 -1.390 -1.810 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -9.746 -1.942 -0.594 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -7.377 -3.829 0.763 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -8.071 -2.530 1.151 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -7.025 0.491 -2.890 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -6.139 -0.350 -3.797 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 1.948 2.389 2.532 0.00 0.00 -0.281 N ATOM 30 H LIG 1 2.457 2.992 3.166 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 2.738 1.791 1.540 0.00 0.00 +0.076 A ATOM 32 C LIG 1 4.063 2.258 1.358 0.00 0.00 +0.142 A ATOM 33 C LIG 1 4.882 1.708 0.365 0.00 0.00 +0.060 A ATOM 34 C LIG 1 4.392 0.684 -0.455 0.00 0.00 +0.040 A ATOM 35 C LIG 1 3.081 0.230 -0.294 0.00 0.00 +0.015 A ATOM 36 C LIG 1 2.267 0.778 0.699 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 5.227 0.069 -1.522 0.00 0.00 +0.244 C ATOM 38 N LIG 1 6.584 0.013 -1.275 0.00 0.00 -0.308 N ATOM 39 H LIG 1 6.897 0.144 -0.322 0.00 0.00 +0.149 HD ATOM 40 O LIG 1 4.699 -0.382 -2.532 0.00 0.00 -0.270 OA BRANCH 38 41 ATOM 41 C LIG 1 7.493 -0.685 -2.182 0.00 0.00 +0.076 C ATOM 42 C LIG 1 7.450 -2.205 -1.967 0.00 0.00 +0.037 C ATOM 43 C LIG 1 8.530 -2.658 -0.986 0.00 0.00 +0.086 C ATOM 44 N LIG 1 9.894 -2.288 -1.388 0.00 0.00 -0.305 NA ATOM 45 C LIG 1 10.654 -3.439 -1.870 0.00 0.00 +0.104 C ATOM 46 C LIG 1 9.956 -1.184 -2.354 0.00 0.00 +0.086 C ATOM 47 C LIG 1 8.911 -0.119 -2.042 0.00 0.00 +0.037 C ENDBRANCH 38 41 ENDBRANCH 34 37 BRANCH 32 48 ATOM 48 O LIG 1 4.447 3.259 2.223 0.00 0.00 -0.493 OA ATOM 49 C LIG 1 5.723 3.850 2.016 0.00 0.00 +0.277 C ENDBRANCH 32 48 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 9