REMARK Name = BDB017476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.913 -0.595 -1.594 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.328 -1.380 -2.604 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.937 -1.548 -2.607 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.093 -0.959 -1.674 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.222 -1.377 -2.054 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.184 -2.196 -3.116 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.675 -0.177 -0.658 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.117 -2.268 -3.429 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -1.388 -2.841 -4.218 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.068 -0.003 -0.640 0.00 0.00 +0.005 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -9.985 2.649 0.121 0.00 0.00 +0.044 C ATOM 12 C LIG 1 -9.062 1.575 0.624 0.00 0.00 -0.050 A ATOM 13 C LIG 1 -8.177 0.937 -0.263 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -7.310 -0.029 0.227 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -6.261 -0.888 -0.421 0.00 0.00 +0.081 C ATOM 16 C LIG 1 -5.404 -0.349 -1.549 0.00 0.00 +0.040 C ATOM 17 C LIG 1 -5.740 -1.745 0.711 0.00 0.00 +0.228 C ATOM 18 N LIG 1 -6.397 -1.339 1.861 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -6.236 -1.770 2.757 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 -4.925 -2.647 0.615 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 -6.401 -1.461 -1.801 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -7.333 -0.338 1.594 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -8.177 0.273 2.496 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -9.045 1.247 1.997 0.00 0.00 +0.005 A ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 1.466 -1.043 -1.425 0.00 0.00 +0.031 C ATOM 26 C LIG 1 1.759 0.105 -0.791 0.00 0.00 +0.010 C BRANCH 26 27 ATOM 27 C LIG 1 3.067 0.393 -0.186 0.00 0.00 -0.025 A ATOM 28 C LIG 1 3.591 1.687 -0.287 0.00 0.00 +0.008 A ATOM 29 C LIG 1 4.819 2.008 0.300 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.547 1.040 1.004 0.00 0.00 -0.033 A ATOM 31 C LIG 1 5.008 -0.248 1.127 0.00 0.00 +0.005 A ATOM 32 C LIG 1 3.780 -0.568 0.539 0.00 0.00 +0.008 A BRANCH 30 33 ATOM 33 C LIG 1 6.867 1.395 1.659 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 7.947 0.445 1.352 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 9.089 0.652 2.268 0.00 0.00 +0.113 C ATOM 36 C LIG 1 10.399 0.111 1.679 0.00 0.00 +0.175 C ATOM 37 O LIG 1 10.794 0.809 0.490 0.00 0.00 -0.377 OA ATOM 38 C LIG 1 9.681 1.315 -0.262 0.00 0.00 +0.175 C ATOM 39 C LIG 1 8.390 0.506 -0.058 0.00 0.00 +0.113 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 5 25 TORSDOF 5