REMARK Name = BDB059992 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.647 -0.745 0.576 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.083 -2.129 0.857 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.073 -2.655 2.160 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.553 -3.926 2.412 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.049 -4.693 1.364 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.073 -4.196 0.063 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.594 -2.925 -0.191 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.049 0.353 1.503 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.798 1.104 2.139 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 3.962 0.078 -0.672 0.00 0.00 -0.013 A ATOM 11 C LIG 1 3.916 0.503 0.663 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.664 0.614 1.289 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.459 0.308 0.651 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.406 0.527 1.605 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.012 1.002 2.756 0.00 0.00 +0.095 A ATOM 16 C LIG 1 1.526 -0.095 -0.699 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.363 1.022 2.566 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.045 1.311 3.254 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 2.769 -0.213 -1.340 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 8.653 0.762 -2.156 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.308 0.262 -2.010 0.00 0.00 -0.274 N ATOM 22 N LIG 1 6.890 -0.750 -2.790 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 5.628 -0.946 -2.397 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.232 -0.063 -1.365 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.354 0.709 -1.142 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.124 -0.774 0.744 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.413 0.098 1.201 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.858 -0.956 -0.508 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.954 0.298 -1.398 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.737 1.429 -0.774 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.139 1.407 -0.778 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -6.867 2.442 -0.185 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -6.200 3.510 0.421 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.803 3.538 0.432 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.076 2.504 -0.164 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.947 4.572 1.030 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -7.554 5.432 1.518 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9