REMARK Name = BDB016701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.050 -0.959 -0.408 0.00 0.00 +0.100 A ATOM 2 C LIG 1 -0.138 -0.394 -0.976 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.122 -1.354 -0.783 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.446 -1.191 -1.207 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -2.814 0.015 -1.834 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -1.821 0.988 -2.038 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -0.500 -2.381 -0.133 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -0.910 -3.255 0.171 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -0.495 0.807 -1.614 0.00 0.00 +0.012 A ATOM 10 N LIG 1 0.798 -2.166 0.129 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.235 0.231 -2.301 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -5.402 0.295 -1.335 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -5.318 0.161 0.160 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -6.450 -0.552 0.588 0.00 0.00 +0.038 A ATOM 15 C LIG 1 -6.703 -0.859 1.909 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.772 -0.425 2.853 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.633 0.298 2.456 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -7.247 -0.868 -0.515 0.00 0.00 -0.284 N ATOM 19 H LIG 1 -8.125 -1.362 -0.482 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 -4.405 0.598 1.107 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -6.702 -0.389 -1.692 0.00 0.00 +0.228 C ATOM 22 O LIG 1 -7.160 -0.488 -2.818 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -4.951 1.542 -2.041 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 30 ATOM 24 C LIG 1 7.845 -0.452 0.519 0.00 0.00 +0.105 C ATOM 25 N LIG 1 7.251 0.828 0.900 0.00 0.00 -0.301 NA ATOM 26 C LIG 1 6.364 1.353 -0.153 0.00 0.00 +0.119 C ATOM 27 C LIG 1 4.992 0.713 -0.219 0.00 0.00 -0.030 A ATOM 28 C LIG 1 4.452 0.042 0.892 0.00 0.00 -0.041 A ATOM 29 C LIG 1 3.165 -0.512 0.813 0.00 0.00 +0.014 A ATOM 30 C LIG 1 2.393 -0.381 -0.350 0.00 0.00 +0.003 A ATOM 31 C LIG 1 2.937 0.294 -1.449 0.00 0.00 +0.010 A ATOM 32 C LIG 1 5.274 -0.146 2.142 0.00 0.00 +0.051 C ATOM 33 C LIG 1 4.221 0.842 -1.382 0.00 0.00 +0.006 A ATOM 34 C LIG 1 6.520 0.751 2.174 0.00 0.00 +0.089 C ENDBRANCH 1 30 TORSDOF 2