REMARK Name = BDB006363 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.385 -4.532 -2.071 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.516 -3.645 -0.882 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.536 -2.917 -0.244 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.021 -2.214 0.826 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.762 -1.398 1.663 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.132 -1.292 1.400 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.709 -1.974 0.328 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.376 -2.503 0.840 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.922 -2.799 -0.488 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.686 -3.375 -0.187 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.068 -3.875 -0.441 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.164 -1.873 0.026 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.773 -0.682 0.362 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.189 0.112 0.583 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.748 -2.799 -0.524 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.165 -0.424 0.029 0.00 0.00 +0.100 C ATOM 17 C LIG 1 7.118 -1.195 0.947 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.426 1.075 0.065 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.425 1.793 1.274 0.00 0.00 +0.007 A ATOM 20 C LIG 1 6.648 3.172 1.288 0.00 0.00 +0.033 A ATOM 21 C LIG 1 6.869 3.847 0.081 0.00 0.00 +0.126 A ATOM 22 C LIG 1 6.864 3.152 -1.133 0.00 0.00 +0.033 A ATOM 23 C LIG 1 6.640 1.772 -1.136 0.00 0.00 +0.007 A BRANCH 21 24 ATOM 24 N LIG 1 7.102 5.297 0.090 0.00 0.00 +0.056 N ATOM 25 O LIG 1 7.060 5.880 1.183 0.00 0.00 -0.126 OA ATOM 26 O LIG 1 7.325 5.852 -0.995 0.00 0.00 -0.126 OA ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.323 -2.000 1.836 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.223 -0.911 1.301 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -2.704 0.226 0.667 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.553 1.233 0.198 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -4.942 1.134 0.354 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.459 0.004 1.005 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.611 -1.003 1.476 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -5.835 2.193 -0.140 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -6.729 2.009 -1.215 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -7.620 3.024 -1.595 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -7.609 4.249 -0.931 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.716 4.460 0.116 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -5.842 3.442 0.509 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -6.792 0.754 -1.987 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -7.800 0.118 -2.229 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -5.593 0.423 -2.493 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -5.751 -0.405 -2.989 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9