REMARK Name = BDB016060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.728 2.115 0.359 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.779 1.158 0.347 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.497 1.514 0.595 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.840 2.842 0.846 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.205 3.747 0.834 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.489 3.417 0.599 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.764 -0.052 -0.458 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.446 0.360 -0.199 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.122 1.703 0.092 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.181 2.628 0.115 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.497 2.236 -0.138 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.786 0.902 -0.422 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 6.835 -4.202 -2.240 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.975 -3.272 -1.550 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.929 -3.737 -0.846 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.365 -2.628 -0.359 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.045 -1.449 -0.747 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.087 -1.912 -1.525 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.185 3.290 1.123 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.910 4.140 0.315 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.120 4.300 0.928 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.235 5.085 0.458 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.223 3.631 2.092 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.042 3.019 2.211 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.504 0.528 0.509 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.124 0.620 1.308 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.028 -0.844 0.334 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -2.189 -1.822 0.065 0.00 0.00 +0.035 C ATOM 29 C LIG 1 -3.072 -2.045 1.308 0.00 0.00 +0.119 C ATOM 30 C LIG 1 -4.471 -2.586 0.979 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -4.489 -3.363 -0.332 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -4.052 -2.497 -1.515 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -3.041 -1.408 -1.140 0.00 0.00 +0.007 C BRANCH 29 34 ATOM 34 O LIG 1 -2.404 -2.952 2.188 0.00 0.00 -0.391 OA ATOM 35 H LIG 1 -2.422 -3.836 1.780 0.00 0.00 +0.210 HD ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7