REMARK Name = BDB056376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.737 -2.130 -1.109 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -0.416 -2.112 -0.618 0.00 0.00 +0.104 A ATOM 3 C LIG 1 0.115 -3.324 -0.135 0.00 0.00 +0.135 A ATOM 4 C LIG 1 -0.636 -4.503 -0.139 0.00 0.00 +0.091 A ATOM 5 C LIG 1 -1.931 -4.487 -0.639 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -2.487 -3.317 -1.135 0.00 0.00 +0.092 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.383 -0.890 -0.600 0.00 0.00 +0.175 A ATOM 8 O LIG 1 -0.268 0.263 -0.285 0.00 0.00 -0.354 OA ATOM 9 N LIG 1 0.621 1.320 -0.287 0.00 0.00 -0.073 NA ATOM 10 C LIG 1 1.823 0.803 -0.589 0.00 0.00 +0.168 A ATOM 11 C LIG 1 1.711 -0.598 -0.801 0.00 0.00 +0.086 A BRANCH 10 12 ATOM 12 C LIG 1 3.017 1.657 -0.664 0.00 0.00 +0.266 C ATOM 13 N LIG 1 4.225 0.972 -0.719 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.221 -0.004 -0.459 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 2.969 2.885 -0.666 0.00 0.00 -0.268 OA BRANCH 13 16 ATOM 16 C LIG 1 5.498 1.683 -0.632 0.00 0.00 +0.076 C ATOM 17 C LIG 1 6.626 0.871 -1.281 0.00 0.00 +0.037 C ATOM 18 C LIG 1 7.377 0.031 -0.251 0.00 0.00 +0.086 C ATOM 19 N LIG 1 7.956 0.816 0.846 0.00 0.00 -0.305 NA ATOM 20 C LIG 1 9.403 0.969 0.713 0.00 0.00 +0.104 C ATOM 21 C LIG 1 7.314 2.121 1.058 0.00 0.00 +0.086 C ATOM 22 C LIG 1 5.809 2.047 0.827 0.00 0.00 +0.037 C ENDBRANCH 13 16 ENDBRANCH 10 12 ENDBRANCH 2 7 BRANCH 3 23 ATOM 23 O LIG 1 1.394 -3.362 0.364 0.00 0.00 -0.506 OA ATOM 24 H LIG 1 1.556 -4.244 0.741 0.00 0.00 +0.292 HD ENDBRANCH 3 23 BRANCH 5 25 ATOM 25 O LIG 1 -2.627 -5.659 -0.632 0.00 0.00 -0.507 OA ATOM 26 H LIG 1 -3.522 -5.495 -0.975 0.00 0.00 +0.292 HD ENDBRANCH 5 25 BRANCH 1 27 ATOM 27 O LIG 1 -2.264 -0.983 -1.673 0.00 0.00 -0.455 OA BRANCH 27 31 ATOM 28 C LIG 1 -6.035 0.356 -0.405 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -5.703 0.232 -1.764 0.00 0.00 +0.026 A ATOM 30 C LIG 1 -4.439 -0.207 -2.170 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -3.496 -0.574 -1.216 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -3.804 -0.471 0.138 0.00 0.00 +0.048 A ATOM 33 C LIG 1 -5.073 -0.031 0.535 0.00 0.00 +0.026 A BRANCH 28 34 ATOM 34 N LIG 1 -7.337 0.738 -0.077 0.00 0.00 -0.342 N ATOM 35 H LIG 1 -7.769 1.287 -0.817 0.00 0.00 +0.146 HD BRANCH 34 37 ATOM 36 C LIG 1 -9.225 1.193 1.374 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -7.699 1.211 1.260 0.00 0.00 +0.064 C ATOM 38 C LIG 1 -7.173 2.627 1.491 0.00 0.00 +0.027 C ENDBRANCH 34 37 ENDBRANCH 28 34 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 9