REMARK Name = BDB049782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.226 1.119 -1.267 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.498 1.926 -0.386 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.821 1.617 -0.055 0.00 0.00 +0.014 A ATOM 4 C LIG 1 -2.439 0.495 -0.612 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -1.708 -0.322 -1.484 0.00 0.00 +0.014 A ATOM 6 C LIG 1 -0.383 -0.010 -1.814 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.820 0.162 -0.295 0.00 0.00 +0.117 A ATOM 8 C LIG 1 -4.997 0.943 -0.434 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -6.063 0.219 -0.063 0.00 0.00 -0.151 NA ATOM 10 N LIG 1 -5.501 -0.960 0.316 0.00 0.00 -0.149 N ATOM 11 N LIG 1 -4.159 -1.055 0.152 0.00 0.00 -0.147 NA BRANCH 10 12 ATOM 12 C LIG 1 -6.277 -2.035 0.823 0.00 0.00 +0.086 A ATOM 13 C LIG 1 -7.666 -1.899 0.960 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -8.424 -2.959 1.459 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -7.803 -4.154 1.823 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.421 -4.293 1.690 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -5.656 -3.238 1.191 0.00 0.00 +0.029 A ENDBRANCH 10 12 BRANCH 8 18 ATOM 18 C LIG 1 -5.169 2.316 -0.976 0.00 0.00 +0.179 C BRANCH 18 19 ATOM 19 C LIG 1 -5.074 3.370 0.094 0.00 0.00 +0.311 C ATOM 20 O LIG 1 -4.621 3.264 1.222 0.00 0.00 -0.251 OA BRANCH 19 21 ATOM 21 O LIG 1 -5.515 4.572 -0.340 0.00 0.00 -0.480 OA ATOM 22 H LIG 1 -5.405 5.161 0.436 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 8 18 ENDBRANCH 4 7 BRANCH 1 23 ATOM 23 O LIG 1 1.505 1.538 -1.504 0.00 0.00 -0.492 OA BRANCH 23 24 ATOM 24 C LIG 1 2.312 0.726 -2.364 0.00 0.00 +0.235 C BRANCH 24 25 ATOM 25 C LIG 1 3.704 1.347 -2.462 0.00 0.00 +0.100 C BRANCH 25 28 ATOM 26 C LIG 1 3.759 2.792 0.588 0.00 0.00 +0.088 C ATOM 27 C LIG 1 4.527 1.695 -0.024 0.00 0.00 +0.126 A ATOM 28 C LIG 1 4.532 1.077 -1.256 0.00 0.00 +0.086 A ATOM 29 N LIG 1 5.476 0.073 -1.262 0.00 0.00 -0.214 NA ATOM 30 C LIG 1 6.003 0.114 -0.052 0.00 0.00 +0.228 A ATOM 31 O LIG 1 5.467 1.083 0.756 0.00 0.00 -0.440 OA BRANCH 30 32 ATOM 32 C LIG 1 7.057 -0.718 0.525 0.00 0.00 +0.037 A ATOM 33 C LIG 1 7.498 -0.550 1.846 0.00 0.00 +0.013 A ATOM 34 C LIG 1 8.508 -1.362 2.371 0.00 0.00 +0.001 A ATOM 35 C LIG 1 9.089 -2.352 1.582 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.663 -2.532 0.268 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.654 -1.720 -0.256 0.00 0.00 +0.013 A ENDBRANCH 30 32 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10