REMARK Name = BDB045175 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.890 -1.182 -1.384 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.813 -0.423 -2.552 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.265 0.436 -2.775 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.304 0.546 -1.839 0.00 0.00 -0.042 A ATOM 5 C LIG 1 -1.232 -0.243 -0.683 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.146 -1.100 -0.458 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.448 1.507 -2.127 0.00 0.00 +0.042 C ATOM 8 C LIG 1 -3.729 0.857 -2.715 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.533 0.460 -1.475 0.00 0.00 +0.115 C ATOM 10 N LIG 1 -4.141 1.420 -0.463 0.00 0.00 -0.266 N ATOM 11 C LIG 1 -4.757 1.595 0.755 0.00 0.00 +0.408 C ATOM 12 O LIG 1 -4.402 2.439 1.570 0.00 0.00 -0.226 OA ATOM 13 C LIG 1 -3.005 2.224 -0.882 0.00 0.00 +0.119 C BRANCH 8 14 ATOM 14 C LIG 1 -3.564 -0.307 -3.693 0.00 0.00 +0.126 C BRANCH 14 15 ATOM 15 C LIG 1 -2.998 0.132 -5.024 0.00 0.00 +0.305 C ATOM 16 O LIG 1 -2.490 1.220 -5.252 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -3.104 -0.831 -5.972 0.00 0.00 -0.481 OA ATOM 18 H LIG 1 -3.485 -1.673 -5.652 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 19 ATOM 19 O LIG 1 -5.805 0.697 0.930 0.00 0.00 -0.411 OA BRANCH 19 20 ATOM 20 C LIG 1 -6.525 0.805 2.127 0.00 0.00 +0.133 A ATOM 21 C LIG 1 -6.557 -0.312 2.962 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -7.304 -0.261 4.138 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -8.026 0.895 4.459 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.999 2.002 3.608 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -7.253 1.956 2.431 0.00 0.00 +0.046 A ENDBRANCH 19 20 ENDBRANCH 11 19 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 2.022 -1.939 -1.274 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 2.318 -2.566 -0.022 0.00 0.00 +0.235 C BRANCH 27 28 ATOM 28 C LIG 1 2.828 -1.579 1.029 0.00 0.00 +0.100 C BRANCH 28 31 ATOM 29 C LIG 1 4.174 0.638 -1.145 0.00 0.00 +0.088 C ATOM 30 C LIG 1 4.741 -0.216 -0.088 0.00 0.00 +0.126 A ATOM 31 C LIG 1 4.233 -1.143 0.798 0.00 0.00 +0.086 A ATOM 32 N LIG 1 5.260 -1.657 1.560 0.00 0.00 -0.214 NA ATOM 33 C LIG 1 6.335 -1.019 1.134 0.00 0.00 +0.228 A ATOM 34 O LIG 1 6.088 -0.126 0.124 0.00 0.00 -0.440 OA BRANCH 33 35 ATOM 35 C LIG 1 7.714 -1.115 1.607 0.00 0.00 +0.037 A ATOM 36 C LIG 1 8.033 -2.019 2.632 0.00 0.00 +0.013 A ATOM 37 C LIG 1 9.338 -2.115 3.122 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.342 -1.307 2.593 0.00 0.00 +0.000 A ATOM 39 C LIG 1 10.044 -0.409 1.571 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.738 -0.311 1.083 0.00 0.00 +0.013 A ENDBRANCH 33 35 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 11