REMARK Name = BDB058666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.015 -3.078 -0.245 0.00 0.00 +0.061 C ATOM 2 C LIG 1 1.065 -2.335 0.028 0.00 0.00 +0.065 C ATOM 3 C LIG 1 2.446 -2.823 -0.069 0.00 0.00 +0.075 C ATOM 4 N LIG 1 3.339 -1.920 0.213 0.00 0.00 -0.176 NA ATOM 5 N LIG 1 2.621 -0.768 0.536 0.00 0.00 -0.156 N ATOM 6 C LIG 1 1.220 -0.926 0.482 0.00 0.00 +0.272 C ATOM 7 O LIG 1 0.327 -0.154 0.777 0.00 0.00 -0.268 OA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 3.349 0.392 0.905 0.00 0.00 +0.060 A ATOM 9 C LIG 1 2.712 1.595 1.236 0.00 0.00 +0.026 A ATOM 10 C LIG 1 3.452 2.730 1.597 0.00 0.00 +0.017 A ATOM 11 C LIG 1 4.848 2.681 1.631 0.00 0.00 +0.059 A ATOM 12 C LIG 1 5.499 1.491 1.301 0.00 0.00 +0.017 A ATOM 13 C LIG 1 4.754 0.361 0.941 0.00 0.00 +0.026 A BRANCH 11 14 ATOM 14 C LIG 1 5.589 3.906 2.019 0.00 0.00 +0.337 C ATOM 15 O LIG 1 5.093 4.975 2.323 0.00 0.00 -0.245 OA BRANCH 14 16 ATOM 16 O LIG 1 6.923 3.735 2.009 0.00 0.00 -0.477 OA ATOM 17 H LIG 1 7.271 4.610 2.278 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 1 20 ATOM 18 C LIG 1 -3.020 -1.152 -0.572 0.00 0.00 +0.138 A ATOM 19 O LIG 1 -1.675 -1.314 -0.669 0.00 0.00 -0.455 OA ATOM 20 C LIG 1 -1.339 -2.572 -0.238 0.00 0.00 +0.129 A ATOM 21 C LIG 1 -2.518 -3.217 0.113 0.00 0.00 +0.050 A ATOM 22 C LIG 1 -3.586 -2.305 -0.077 0.00 0.00 +0.050 A BRANCH 18 29 ATOM 23 C LIG 1 -6.133 2.605 0.394 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -5.050 2.030 -0.481 0.00 0.00 -0.047 A ATOM 25 C LIG 1 -4.514 2.763 -1.559 0.00 0.00 -0.045 A ATOM 26 C LIG 1 -5.011 4.142 -1.897 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -3.505 2.185 -2.340 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -3.029 0.899 -2.037 0.00 0.00 +0.137 A ATOM 29 C LIG 1 -3.525 0.158 -0.957 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -4.547 0.745 -0.192 0.00 0.00 +0.017 A BRANCH 28 31 ATOM 31 N LIG 1 -2.040 0.336 -2.941 0.00 0.00 +0.057 N ATOM 32 O LIG 1 -0.981 0.964 -3.084 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 -2.358 -0.688 -3.564 0.00 0.00 -0.126 OA ENDBRANCH 28 31 ENDBRANCH 18 29 ENDBRANCH 1 20 BRANCH 3 34 ATOM 34 C LIG 1 2.811 -4.189 -0.469 0.00 0.00 +0.040 C ATOM 35 C LIG 1 2.601 -5.344 0.483 0.00 0.00 +0.010 C ATOM 36 C LIG 1 3.992 -4.882 0.171 0.00 0.00 +0.010 C ENDBRANCH 3 34 TORSDOF 7