REMARK Name = BDB021293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.127 0.116 2.745 0.00 0.00 +0.159 A ATOM 2 N LIG 1 0.047 0.071 2.034 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.315 -0.040 0.769 0.00 0.00 +0.151 A ATOM 4 N LIG 1 -1.691 -0.036 0.641 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.338 -0.136 -0.603 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -1.635 -0.291 -1.691 0.00 0.00 -0.223 NA ATOM 7 C LIG 1 -0.261 -0.308 -1.573 0.00 0.00 +0.126 A ATOM 8 C LIG 1 0.447 -0.169 -0.430 0.00 0.00 +0.045 A ATOM 9 C LIG 1 -2.216 0.036 1.910 0.00 0.00 +0.134 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.926 -0.208 -0.482 0.00 0.00 +0.005 A ATOM 11 C LIG 1 2.663 -0.933 0.446 0.00 0.00 +0.121 A ATOM 12 N LIG 1 4.018 -1.025 0.458 0.00 0.00 -0.240 NA ATOM 13 C LIG 1 4.725 -0.343 -0.468 0.00 0.00 +0.121 A ATOM 14 C LIG 1 4.060 0.414 -1.433 0.00 0.00 +0.044 A ATOM 15 C LIG 1 2.664 0.488 -1.438 0.00 0.00 +0.013 A BRANCH 13 16 ATOM 16 N LIG 1 6.117 -0.439 -0.469 0.00 0.00 -0.315 N ATOM 17 C LIG 1 6.678 -1.426 0.459 0.00 0.00 +0.106 C ATOM 18 C LIG 1 8.168 -1.599 0.173 0.00 0.00 +0.019 C ATOM 19 C LIG 1 8.941 -0.289 0.319 0.00 0.00 +0.003 C ATOM 20 C LIG 1 8.036 0.939 0.282 0.00 0.00 +0.019 C ATOM 21 C LIG 1 6.888 0.785 -0.713 0.00 0.00 +0.106 C ENDBRANCH 13 16 ENDBRANCH 8 10 BRANCH 1 23 ATOM 22 N LIG 1 -1.202 0.299 5.330 0.00 0.00 -0.189 NA ATOM 23 C LIG 1 -1.141 0.216 4.173 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 5 24 ATOM 24 N LIG 1 -3.713 -0.102 -0.689 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.956 -0.402 -1.635 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.409 1.160 -0.439 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.875 1.004 -0.722 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.691 0.121 -0.018 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -6.354 -0.856 1.046 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -7.765 -1.219 1.509 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -8.700 -0.927 0.446 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -8.042 -0.002 -0.321 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.645 0.734 -1.320 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.853 1.637 -2.028 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.491 1.765 -1.725 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.763 2.642 -2.431 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 6