REMARK Name = BDB050353 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.468 -0.012 0.402 0.00 0.00 +0.138 A ATOM 2 C LIG 1 -0.069 0.606 1.604 0.00 0.00 +0.026 A ATOM 3 C LIG 1 1.317 0.675 1.920 0.00 0.00 +0.007 A ATOM 4 C LIG 1 1.671 1.357 3.114 0.00 0.00 +0.010 A ATOM 5 C LIG 1 0.716 1.910 3.973 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.629 1.808 3.664 0.00 0.00 +0.001 A ATOM 7 C LIG 1 2.273 0.072 1.032 0.00 0.00 +0.041 A ATOM 8 C LIG 1 1.817 -0.515 -0.159 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -1.016 1.166 2.490 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.463 -0.573 -0.468 0.00 0.00 +0.049 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 3.663 0.120 1.343 0.00 0.00 -0.285 N ATOM 12 H LIG 1 3.823 0.191 2.337 0.00 0.00 +0.155 HD BRANCH 11 13 ATOM 13 C LIG 1 4.709 -0.121 0.521 0.00 0.00 +0.198 A ATOM 14 N LIG 1 5.972 -0.182 1.060 0.00 0.00 -0.326 N ATOM 15 H LIG 1 6.196 -0.067 2.035 0.00 0.00 +0.169 HD ATOM 16 C LIG 1 6.873 -0.421 0.056 0.00 0.00 +0.067 A ATOM 17 C LIG 1 6.088 -0.487 -1.087 0.00 0.00 +0.091 A ATOM 18 C LIG 1 6.700 -0.722 -2.326 0.00 0.00 +0.030 A ATOM 19 C LIG 1 8.091 -0.883 -2.367 0.00 0.00 +0.002 A ATOM 20 C LIG 1 8.855 -0.811 -1.199 0.00 0.00 +0.002 A ATOM 21 C LIG 1 8.261 -0.577 0.047 0.00 0.00 +0.028 A ATOM 22 N LIG 1 4.764 -0.298 -0.780 0.00 0.00 -0.214 NA ENDBRANCH 11 13 ENDBRANCH 7 11 BRANCH 1 23 ATOM 23 O LIG 1 -1.811 -0.150 0.119 0.00 0.00 -0.437 OA BRANCH 23 25 ATOM 24 C LIG 1 -3.579 0.226 -1.442 0.00 0.00 +0.062 A ATOM 25 C LIG 1 -2.312 0.579 -0.959 0.00 0.00 +0.230 A ATOM 26 N LIG 1 -1.578 1.623 -1.427 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 -2.111 2.357 -2.422 0.00 0.00 +0.114 A ATOM 28 C LIG 1 -3.353 2.108 -2.972 0.00 0.00 +0.021 A ATOM 29 C LIG 1 -4.089 1.035 -2.473 0.00 0.00 +0.017 A BRANCH 24 32 ATOM 30 C LIG 1 -6.471 -1.659 -0.340 0.00 0.00 +0.215 A ATOM 31 N LIG 1 -5.692 -0.663 -0.781 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 -4.370 -0.907 -0.933 0.00 0.00 +0.081 A ATOM 33 C LIG 1 -3.830 -2.149 -0.663 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -4.707 -3.102 -0.210 0.00 0.00 +0.116 A ATOM 35 N LIG 1 -6.021 -2.881 -0.036 0.00 0.00 -0.223 NA BRANCH 30 37 ATOM 36 C LIG 1 -8.191 -0.141 0.290 0.00 0.00 +0.128 C ATOM 37 N LIG 1 -7.835 -1.464 -0.168 0.00 0.00 -0.317 N ATOM 38 H LIG 1 -8.145 -2.227 0.425 0.00 0.00 +0.149 HD ENDBRANCH 30 37 ENDBRANCH 24 32 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 6