REMARK Name = BDB035282 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.142 -1.593 -0.767 0.00 0.00 +0.141 A ATOM 2 N LIG 1 1.783 -2.757 -0.474 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 3.096 -2.933 -0.766 0.00 0.00 +0.047 A ATOM 4 C LIG 1 3.821 -1.903 -1.351 0.00 0.00 +0.032 A ATOM 5 C LIG 1 3.211 -0.676 -1.623 0.00 0.00 -0.012 A ATOM 6 C LIG 1 1.848 -0.538 -1.332 0.00 0.00 +0.055 A ENDROOT BRANCH 1 14 ATOM 7 C LIG 1 -4.634 -0.098 -0.118 0.00 0.00 +0.031 A ATOM 8 N LIG 1 -3.481 0.307 -0.756 0.00 0.00 -0.353 N ATOM 9 H LIG 1 -3.401 1.139 -1.331 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 -2.463 -0.556 -0.458 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -2.970 -1.526 0.373 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -2.094 -2.560 0.824 0.00 0.00 -0.018 A ATOM 13 C LIG 1 -0.808 -2.527 0.404 0.00 0.00 +0.100 A ATOM 14 N LIG 1 -0.260 -1.520 -0.424 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -1.098 -0.486 -0.931 0.00 0.00 +0.281 A ATOM 16 O LIG 1 -0.771 0.394 -1.722 0.00 0.00 -0.265 OA ATOM 17 C LIG 1 -4.336 -1.251 0.590 0.00 0.00 +0.033 A BRANCH 12 18 ATOM 18 C LIG 1 -2.664 -3.617 1.680 0.00 0.00 +0.021 C ATOM 19 C LIG 1 -3.115 -3.278 3.081 0.00 0.00 +0.009 C ATOM 20 C LIG 1 -1.896 -4.124 2.878 0.00 0.00 +0.009 C ENDBRANCH 12 18 BRANCH 7 21 ATOM 21 C LIG 1 -5.914 0.658 -0.270 0.00 0.00 +0.137 C BRANCH 21 25 ATOM 22 C LIG 1 -7.932 4.991 -1.505 0.00 0.00 +0.009 C ATOM 23 C LIG 1 -6.823 4.292 -0.722 0.00 0.00 +0.000 C ATOM 24 C LIG 1 -6.835 2.777 -0.969 0.00 0.00 +0.088 C ATOM 25 N LIG 1 -5.681 2.106 -0.349 0.00 0.00 -0.296 NA ATOM 26 C LIG 1 -5.284 2.691 0.943 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -6.403 3.454 1.647 0.00 0.00 +0.016 C ATOM 28 C LIG 1 -6.942 4.593 0.781 0.00 0.00 +0.006 C ENDBRANCH 21 25 ENDBRANCH 7 21 ENDBRANCH 1 14 BRANCH 5 29 ATOM 29 C LIG 1 3.986 0.437 -2.199 0.00 0.00 -0.005 A ATOM 30 C LIG 1 4.168 1.681 -1.549 0.00 0.00 +0.048 A ATOM 31 C LIG 1 4.834 2.738 -2.190 0.00 0.00 +0.052 A ATOM 32 C LIG 1 5.375 2.542 -3.451 0.00 0.00 +0.124 A ATOM 33 F LIG 1 6.030 3.543 -4.052 0.00 0.00 -0.205 F ATOM 34 C LIG 1 5.250 1.321 -4.098 0.00 0.00 +0.039 A ATOM 35 C LIG 1 4.554 0.279 -3.480 0.00 0.00 +0.012 A BRANCH 30 36 ATOM 36 C LIG 1 3.612 1.979 -0.205 0.00 0.00 +0.251 C ATOM 37 N LIG 1 3.921 1.167 0.897 0.00 0.00 -0.270 N ATOM 38 C LIG 1 2.992 1.220 2.023 0.00 0.00 +0.138 C ATOM 39 O LIG 1 2.820 2.922 -0.154 0.00 0.00 -0.270 OA BRANCH 37 40 ATOM 40 C LIG 1 5.078 0.334 1.032 0.00 0.00 +0.036 A ATOM 41 C LIG 1 6.292 0.650 0.408 0.00 0.00 +0.023 A ATOM 42 C LIG 1 7.417 -0.169 0.556 0.00 0.00 +0.002 A ATOM 43 C LIG 1 7.352 -1.312 1.346 0.00 0.00 +0.000 A ATOM 44 C LIG 1 6.164 -1.631 1.996 0.00 0.00 +0.002 A ATOM 45 C LIG 1 5.041 -0.811 1.845 0.00 0.00 +0.023 A ENDBRANCH 37 40 ENDBRANCH 30 36 ENDBRANCH 5 29 BRANCH 3 46 ATOM 46 C LIG 1 3.689 -4.285 -0.419 0.00 0.00 +0.038 C ATOM 47 C LIG 1 5.170 -4.533 -0.268 0.00 0.00 +0.010 C ATOM 48 C LIG 1 4.442 -5.078 -1.462 0.00 0.00 +0.010 C ENDBRANCH 3 46 TORSDOF 8