REMARK Name = BDB035879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.821 -4.073 0.906 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.702 -2.581 0.959 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.481 -1.958 0.346 0.00 0.00 +0.143 A ATOM 4 N LIG 1 1.367 -0.573 0.438 0.00 0.00 -0.267 N ATOM 5 C LIG 1 0.249 0.077 -0.082 0.00 0.00 +0.266 A ATOM 6 C LIG 1 -0.749 -0.798 -0.754 0.00 0.00 +0.065 A ATOM 7 C LIG 1 -0.501 -2.113 -0.771 0.00 0.00 +0.127 A ATOM 8 O LIG 1 0.051 1.292 -0.006 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 2.358 0.190 1.047 0.00 0.00 +0.101 A ATOM 10 C LIG 1 3.475 -0.348 1.562 0.00 0.00 -0.016 A ATOM 11 N LIG 1 0.594 -2.718 -0.225 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 3.622 -1.787 1.532 0.00 0.00 +0.013 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -1.961 -0.256 -1.379 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.196 -0.336 -0.712 0.00 0.00 +0.013 A ATOM 15 C LIG 1 -4.388 0.176 -1.266 0.00 0.00 -0.033 A ATOM 16 C LIG 1 -4.271 0.759 -2.548 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -3.052 0.844 -3.226 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -1.896 0.340 -2.640 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -5.813 0.139 -0.505 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -6.003 -0.751 0.775 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -6.468 -1.896 -0.157 0.00 0.00 -0.012 C ATOM 22 C LIG 1 -7.564 -2.800 0.372 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -6.900 -0.798 -1.159 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 -6.327 1.617 -0.262 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.705 2.605 0.455 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -4.452 2.540 1.156 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -6.510 3.699 0.362 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -7.566 3.408 -0.362 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.448 2.096 -0.760 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 4.538 0.500 2.233 0.00 0.00 +0.121 C BRANCH 30 31 ATOM 31 N LIG 1 5.738 0.802 1.452 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.484 1.504 0.193 0.00 0.00 +0.088 C ATOM 33 C LIG 1 6.782 1.838 -0.563 0.00 0.00 +0.000 C ATOM 34 C LIG 1 7.614 2.889 0.182 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.611 0.570 -0.842 0.00 0.00 +0.006 C ATOM 36 C LIG 1 7.130 -0.643 -0.044 0.00 0.00 +0.016 C ATOM 37 C LIG 1 6.738 -0.262 1.382 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 5