REMARK Name = BDB006313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.338 1.199 2.299 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.187 0.164 1.645 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.793 -0.722 0.595 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.896 -1.515 0.271 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.840 -2.483 -0.748 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.636 -2.651 -1.438 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.487 -1.886 -1.121 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.933 -1.128 1.105 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.413 -0.908 -0.117 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.510 -0.119 1.951 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.399 0.514 2.968 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.740 -2.119 -1.891 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.918 -1.867 -1.224 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -2.900 -1.688 -0.230 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -1.690 -2.542 -3.041 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.214 -2.106 -1.835 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.555 -3.599 -1.851 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.258 -1.262 -1.125 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.804 -1.627 0.112 0.00 0.00 +0.006 A ATOM 20 C LIG 1 -6.743 -0.811 0.756 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -7.165 0.404 0.195 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.599 0.768 -1.041 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.660 -0.045 -1.686 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 -8.195 1.323 0.874 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -8.723 0.781 2.222 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -7.557 2.700 1.155 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -9.416 1.508 -0.053 0.00 0.00 +0.015 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 4.262 -1.741 1.115 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 5.322 -0.872 0.480 0.00 0.00 -0.028 A ATOM 30 C LIG 1 6.529 -0.637 1.152 0.00 0.00 +0.006 A ATOM 31 C LIG 1 7.532 0.144 0.568 0.00 0.00 +0.009 A ATOM 32 C LIG 1 7.365 0.705 -0.707 0.00 0.00 -0.018 A ATOM 33 C LIG 1 6.160 0.454 -1.380 0.00 0.00 +0.009 A ATOM 34 C LIG 1 5.155 -0.327 -0.800 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 8.420 1.530 -1.319 0.00 0.00 -0.018 A ATOM 36 C LIG 1 9.736 1.051 -1.441 0.00 0.00 +0.008 A ATOM 37 C LIG 1 10.737 1.833 -2.022 0.00 0.00 +0.001 A ATOM 38 C LIG 1 10.440 3.111 -2.490 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.143 3.605 -2.379 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.143 2.821 -1.799 0.00 0.00 +0.008 A ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 7