REMARK Name = BDB006413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.696 0.257 4.001 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.760 -0.540 3.167 0.00 0.00 -0.025 A ATOM 3 C LIG 1 1.014 -1.064 1.861 0.00 0.00 +0.003 A ATOM 4 C LIG 1 -0.128 -1.758 1.450 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.197 -2.411 0.209 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.919 -2.349 -0.631 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.066 -1.648 -0.254 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.054 -1.643 2.468 0.00 0.00 -0.342 N ATOM 9 C LIG 1 2.130 -1.014 0.997 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.521 -0.923 3.508 0.00 0.00 +0.090 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 3.215 -1.615 -1.200 0.00 0.00 +0.245 C ATOM 12 N LIG 1 4.016 -0.495 -1.144 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.700 0.307 -0.617 0.00 0.00 +0.150 HD ATOM 14 O LIG 1 3.393 -2.534 -1.991 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 5.115 -0.300 -2.072 0.00 0.00 +0.100 C ATOM 16 C LIG 1 4.611 0.162 -3.443 0.00 0.00 +0.033 C BRANCH 15 17 ATOM 17 C LIG 1 6.127 0.652 -1.450 0.00 0.00 -0.027 A ATOM 18 C LIG 1 7.266 0.123 -0.818 0.00 0.00 +0.007 A ATOM 19 C LIG 1 8.207 0.961 -0.213 0.00 0.00 +0.033 A ATOM 20 C LIG 1 8.005 2.345 -0.227 0.00 0.00 +0.126 A ATOM 21 C LIG 1 6.870 2.891 -0.838 0.00 0.00 +0.033 A ATOM 22 C LIG 1 5.936 2.044 -1.441 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 N LIG 1 8.987 3.231 0.409 0.00 0.00 +0.056 N ATOM 24 O LIG 1 9.985 2.710 0.928 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 8.760 4.449 0.394 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 7 11 BRANCH 8 26 ATOM 26 C LIG 1 -2.384 -2.249 2.487 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -3.365 -1.530 1.593 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -3.610 -0.157 1.735 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -4.537 0.491 0.913 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.253 -0.215 -0.063 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -5.014 -1.591 -0.196 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -4.086 -2.241 0.625 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.218 0.471 -0.936 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.606 0.228 -0.900 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.471 0.849 -1.814 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -7.970 1.747 -2.755 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.606 2.019 -2.791 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -5.740 1.386 -1.894 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -8.229 -0.689 0.073 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -9.020 -1.574 -0.190 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.899 -0.376 1.337 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -8.380 -1.030 1.884 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9