REMARK Name = BDB006322 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.483 -4.938 0.817 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.387 -3.466 1.032 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.288 -2.625 0.677 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.615 -1.319 1.047 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.264 -0.243 0.820 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.499 -0.506 0.216 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.855 -1.806 -0.146 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.881 -1.361 1.608 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.962 -2.866 0.067 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.353 -2.661 1.617 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.691 -3.038 2.158 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.165 -2.112 -0.787 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.209 -1.271 -0.470 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.122 -0.659 0.329 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.285 -3.084 -1.524 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.544 -1.563 -0.937 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 6.482 -0.441 -0.594 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.265 -0.484 0.559 0.00 0.00 +0.007 A ATOM 19 C LIG 1 8.120 0.581 0.883 0.00 0.00 +0.023 A ATOM 20 C LIG 1 8.220 1.736 0.088 0.00 0.00 +0.029 A ATOM 21 C LIG 1 7.422 1.750 -1.069 0.00 0.00 +0.023 A ATOM 22 C LIG 1 6.564 0.692 -1.404 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 N LIG 1 9.090 2.786 0.408 0.00 0.00 -0.336 N ATOM 24 C LIG 1 8.963 4.058 -0.299 0.00 0.00 +0.129 C ATOM 25 C LIG 1 9.645 2.863 1.758 0.00 0.00 +0.129 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -2.585 -0.202 2.159 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.711 0.280 1.276 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.998 0.442 1.807 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.048 0.900 1.006 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.839 1.217 -0.344 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.547 1.072 -0.868 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.495 0.612 -0.069 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.946 1.696 -1.184 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -8.027 0.881 -1.573 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -9.104 1.407 -2.304 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.101 2.747 -2.686 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.030 3.563 -2.334 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.966 3.045 -1.589 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -8.101 -0.551 -1.228 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -9.041 -1.106 -0.691 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.021 -1.220 -1.664 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -7.173 -2.147 -1.391 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9