REMARK Name = BDB010678 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.171 -1.308 -0.958 0.00 0.00 +0.074 A ATOM 2 C LIG 1 -0.786 -1.195 -1.154 0.00 0.00 +0.111 A ATOM 3 C LIG 1 -0.222 -1.768 -2.295 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.136 -1.693 -2.294 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.445 -1.077 -1.185 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.908 -2.368 -3.278 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -2.220 -2.385 -3.059 0.00 0.00 +0.220 A ATOM 8 N LIG 1 0.312 -0.652 -0.512 0.00 0.00 -0.309 N ATOM 9 N LIG 1 -2.863 -1.907 -1.973 0.00 0.00 -0.226 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.644 0.669 1.302 0.00 0.00 +0.007 C ATOM 11 C LIG 1 -4.163 1.001 1.506 0.00 0.00 -0.013 C ATOM 12 C LIG 1 -3.318 0.587 0.292 0.00 0.00 +0.013 C ATOM 13 C LIG 1 -3.045 -0.922 0.220 0.00 0.00 +0.040 C ATOM 14 C LIG 1 -2.599 -1.565 1.542 0.00 0.00 +0.010 C ATOM 15 C LIG 1 -3.470 -1.135 2.718 0.00 0.00 +0.001 C ATOM 16 C LIG 1 -3.610 0.383 2.797 0.00 0.00 +0.003 C ENDBRANCH 1 13 BRANCH 7 17 ATOM 17 C LIG 1 -3.055 -3.011 -4.104 0.00 0.00 +0.287 A ATOM 18 O LIG 1 -4.392 -3.027 -3.857 0.00 0.00 -0.385 OA ATOM 19 C LIG 1 -4.921 -3.642 -4.946 0.00 0.00 +0.436 A ATOM 20 O LIG 1 -6.102 -3.866 -5.137 0.00 0.00 -0.221 OA ATOM 21 N LIG 1 -3.869 -3.949 -5.764 0.00 0.00 -0.208 N ATOM 22 H LIG 1 -3.936 -4.415 -6.658 0.00 0.00 +0.195 HD ATOM 23 N LIG 1 -2.686 -3.549 -5.230 0.00 0.00 -0.127 NA ENDBRANCH 7 17 BRANCH 5 24 ATOM 24 N LIG 1 2.693 -0.820 -0.710 0.00 0.00 -0.289 N ATOM 25 C LIG 1 3.371 -2.003 -0.095 0.00 0.00 +0.132 C ATOM 26 C LIG 1 4.140 -2.851 -1.147 0.00 0.00 +0.187 C ATOM 27 O LIG 1 5.007 -2.075 -1.992 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 4.250 -1.067 -2.674 0.00 0.00 +0.179 C ATOM 29 C LIG 1 3.577 -0.115 -1.676 0.00 0.00 +0.136 C BRANCH 25 30 ATOM 30 C LIG 1 4.197 -1.543 1.107 0.00 0.00 -0.025 A ATOM 31 C LIG 1 5.556 -1.207 1.017 0.00 0.00 +0.005 A ATOM 32 C LIG 1 6.266 -0.778 2.142 0.00 0.00 +0.000 A ATOM 33 C LIG 1 5.629 -0.677 3.376 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.281 -1.003 3.487 0.00 0.00 +0.000 A ATOM 35 C LIG 1 3.572 -1.431 2.363 0.00 0.00 +0.005 A ENDBRANCH 25 30 ENDBRANCH 5 24 BRANCH 8 36 ATOM 36 C LIG 1 0.354 0.235 0.636 0.00 0.00 +0.128 C BRANCH 36 37 ATOM 37 C LIG 1 0.955 1.639 0.392 0.00 0.00 +0.009 C ATOM 38 C LIG 1 0.900 2.482 1.684 0.00 0.00 +0.005 C ATOM 39 C LIG 1 -0.317 3.400 1.729 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -0.346 4.391 0.551 0.00 0.00 -0.014 C ATOM 41 C LIG 1 0.197 5.761 0.961 0.00 0.00 +0.007 C ATOM 42 C LIG 1 0.413 3.869 -0.681 0.00 0.00 +0.003 C ATOM 43 C LIG 1 0.297 2.355 -0.803 0.00 0.00 +0.005 C ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 6