REMARK Name = BDB010287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.646 0.013 1.223 0.00 0.00 +0.130 A ATOM 2 N LIG 1 -0.460 -0.007 0.499 0.00 0.00 -0.322 N ATOM 3 C LIG 1 0.544 -0.429 1.345 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.078 -0.514 2.582 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.544 -0.825 3.727 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 1.854 -1.034 3.557 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.544 -0.994 2.396 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.904 -0.715 1.243 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.412 -0.258 2.494 0.00 0.00 -0.211 NA ENDROOT BRANCH 1 11 ATOM 10 N LIG 1 -3.582 -0.759 -0.212 0.00 0.00 -0.293 NA ATOM 11 C LIG 1 -3.005 0.316 0.628 0.00 0.00 +0.123 C ATOM 12 C LIG 1 -4.003 0.834 1.678 0.00 0.00 +0.030 C ATOM 13 C LIG 1 -5.242 1.454 1.004 0.00 0.00 -0.011 C ATOM 14 C LIG 1 -6.467 1.314 1.908 0.00 0.00 +0.007 C ATOM 15 C LIG 1 -5.493 0.855 -0.390 0.00 0.00 +0.019 C ATOM 16 C LIG 1 -5.023 -0.598 -0.470 0.00 0.00 +0.085 C BRANCH 10 18 ATOM 17 C LIG 1 -3.719 -2.676 1.488 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -3.250 -2.150 0.134 0.00 0.00 +0.082 C ENDBRANCH 10 18 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 2.667 -1.375 4.779 0.00 0.00 +0.375 C ATOM 20 O LIG 1 3.861 -1.628 4.814 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 1.945 -1.389 5.923 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 2.597 -1.621 6.615 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 2.602 -0.720 0.039 0.00 0.00 -0.324 N ATOM 24 H LIG 1 2.068 -1.161 -0.700 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 4.005 -1.157 0.057 0.00 0.00 +0.072 C ATOM 26 C LIG 1 4.685 -0.532 -1.164 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 4.101 -2.688 0.074 0.00 0.00 +0.009 C ATOM 28 C LIG 1 3.607 -3.528 -1.139 0.00 0.00 +0.005 C ATOM 29 C LIG 1 4.699 -4.556 -0.773 0.00 0.00 +0.001 C ATOM 30 C LIG 1 5.475 -3.393 -0.118 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 -0.342 0.359 -0.903 0.00 0.00 +0.127 C BRANCH 31 32 ATOM 32 C LIG 1 -0.249 1.879 -1.162 0.00 0.00 +0.009 C ATOM 33 C LIG 1 -0.559 2.153 -2.649 0.00 0.00 +0.005 C ATOM 34 C LIG 1 0.073 3.452 -3.132 0.00 0.00 +0.003 C ATOM 35 C LIG 1 1.609 3.382 -3.063 0.00 0.00 -0.014 C ATOM 36 C LIG 1 2.198 4.793 -3.018 0.00 0.00 +0.007 C ATOM 37 C LIG 1 2.106 2.526 -1.883 0.00 0.00 +0.003 C ATOM 38 C LIG 1 1.100 2.494 -0.737 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9