REMARK Name = BDB058133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.858 0.753 0.333 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.202 -0.463 0.132 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.198 -0.504 0.100 0.00 0.00 +0.024 A ATOM 4 C LIG 1 1.974 0.655 0.276 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.298 1.860 0.489 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -0.102 1.911 0.525 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -3.049 -0.042 -0.390 0.00 0.00 -0.308 N ATOM 8 H LIG 1 -2.557 -0.729 -0.943 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.342 0.860 0.380 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.874 1.730 1.060 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -7.210 0.562 -1.947 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -6.589 -0.820 -1.655 0.00 0.00 +0.043 C ATOM 13 N LIG 1 -7.051 -1.452 -0.407 0.00 0.00 -0.180 NA ATOM 14 C LIG 1 -6.524 -1.037 0.906 0.00 0.00 +0.043 C ATOM 15 C LIG 1 -6.861 -2.157 1.920 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -7.120 0.273 1.460 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -4.984 -0.926 0.838 0.00 0.00 +0.046 C ATOM 18 C LIG 1 -4.507 -0.097 -0.356 0.00 0.00 +0.077 C ATOM 19 C LIG 1 -5.047 -0.715 -1.646 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -6.981 -1.753 -2.826 0.00 0.00 +0.030 C BRANCH 13 21 ATOM 21 O LIG 1 -8.494 -1.588 -0.385 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -8.831 -0.682 -0.264 0.00 0.00 +0.237 HD ENDBRANCH 13 21 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 N LIG 1 3.366 0.538 0.224 0.00 0.00 -0.284 N ATOM 24 H LIG 1 3.745 -0.388 0.086 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 4.420 1.434 0.368 0.00 0.00 +0.221 A ATOM 26 N LIG 1 5.644 0.888 0.259 0.00 0.00 -0.197 NA ATOM 27 C LIG 1 6.745 1.663 0.402 0.00 0.00 +0.159 A ATOM 28 C LIG 1 6.596 3.014 0.647 0.00 0.00 +0.184 A ATOM 29 C LIG 1 5.319 3.513 0.731 0.00 0.00 +0.150 A ATOM 30 N LIG 1 4.225 2.739 0.599 0.00 0.00 -0.220 NA BRANCH 28 31 ATOM 31 N LIG 1 7.710 3.903 0.828 0.00 0.00 +0.061 N ATOM 32 O LIG 1 8.699 3.472 1.438 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 7.593 5.057 0.393 0.00 0.00 -0.126 OA ENDBRANCH 28 31 BRANCH 27 34 ATOM 34 N LIG 1 8.020 1.086 0.230 0.00 0.00 -0.295 N ATOM 35 H LIG 1 8.698 1.414 0.928 0.00 0.00 +0.154 HD BRANCH 34 36 ATOM 36 C LIG 1 8.369 -0.230 -0.155 0.00 0.00 +0.074 A ATOM 37 C LIG 1 9.579 -0.768 0.319 0.00 0.00 +0.138 A ATOM 38 C LIG 1 10.012 -2.040 -0.049 0.00 0.00 +0.047 A ATOM 39 C LIG 1 9.232 -2.798 -0.921 0.00 0.00 +0.004 A ATOM 40 C LIG 1 8.038 -2.277 -1.421 0.00 0.00 +0.002 A ATOM 41 C LIG 1 7.614 -0.999 -1.044 0.00 0.00 +0.027 A BRANCH 37 42 ATOM 42 O LIG 1 10.325 0.004 1.175 0.00 0.00 -0.505 OA ATOM 43 H LIG 1 11.142 -0.477 1.388 0.00 0.00 +0.292 HD ENDBRANCH 37 42 ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 9