REMARK Name = BDB035889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.183 -1.455 -3.401 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -3.505 -1.598 -2.069 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -2.106 -1.606 -1.967 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -1.496 -1.717 -0.718 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.024 -1.721 -0.632 0.00 0.00 +0.200 A ATOM 6 C LIG 1 0.718 -1.597 -1.915 0.00 0.00 +0.066 A ATOM 7 C LIG 1 -0.010 -1.492 -3.036 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.546 -1.829 0.448 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 -2.266 -1.820 0.445 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -3.664 -1.807 0.365 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -1.380 -1.498 -3.128 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 -4.271 -1.696 -0.897 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.184 -1.555 -1.961 0.00 0.00 +0.007 A ATOM 14 C LIG 1 2.905 -0.595 -1.242 0.00 0.00 +0.016 A ATOM 15 C LIG 1 4.314 -0.538 -1.272 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.917 -1.517 -2.067 0.00 0.00 +0.115 A ATOM 17 N LIG 1 4.270 -2.459 -2.792 0.00 0.00 -0.262 NA ATOM 18 C LIG 1 2.921 -2.461 -2.713 0.00 0.00 +0.119 A BRANCH 15 19 ATOM 19 C LIG 1 5.126 0.568 -0.458 0.00 0.00 +0.057 C ATOM 20 C LIG 1 4.891 0.571 1.099 0.00 0.00 +0.022 C ATOM 21 C LIG 1 6.380 0.938 1.284 0.00 0.00 -0.012 C ATOM 22 C LIG 1 7.091 0.301 2.460 0.00 0.00 +0.007 C ATOM 23 C LIG 1 6.633 0.307 -0.106 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 4.885 1.996 -1.117 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.333 2.457 -2.327 0.00 0.00 -0.320 N ATOM 26 C LIG 1 6.149 1.780 -3.295 0.00 0.00 +0.151 C ATOM 27 C LIG 1 4.843 3.720 -2.452 0.00 0.00 +0.224 A ATOM 28 N LIG 1 4.132 4.024 -1.393 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 4.154 2.937 -0.553 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 -4.510 -1.921 1.617 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 -5.415 -0.780 1.810 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 -4.678 0.479 2.037 0.00 0.00 +0.088 C ATOM 33 C LIG 1 -5.440 1.514 2.894 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -4.897 2.922 2.659 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.940 1.441 2.615 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -7.477 0.031 2.873 0.00 0.00 +0.016 C ATOM 37 C LIG 1 -6.386 -1.045 2.870 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 5