REMARK Name = BDB059510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.771 1.859 -1.763 0.00 0.00 +0.247 C ATOM 2 N LIG 1 3.948 0.733 -1.793 0.00 0.00 -0.293 N ATOM 3 C LIG 1 2.811 0.792 -2.705 0.00 0.00 +0.143 C ATOM 4 C LIG 1 1.804 -0.322 -2.505 0.00 0.00 -0.027 A ATOM 5 C LIG 1 2.062 -1.405 -1.642 0.00 0.00 -0.040 A ATOM 6 C LIG 1 1.103 -2.416 -1.486 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -0.102 -2.359 -2.192 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -0.344 -1.310 -3.082 0.00 0.00 +0.013 A ATOM 9 C LIG 1 3.342 -1.458 -0.848 0.00 0.00 +0.054 C ATOM 10 C LIG 1 0.602 -0.292 -3.231 0.00 0.00 +0.006 A ATOM 11 C LIG 1 4.437 -0.614 -1.494 0.00 0.00 +0.113 C ATOM 12 O LIG 1 4.608 2.836 -2.489 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 7.985 2.033 1.059 0.00 0.00 +0.120 A ATOM 14 C LIG 1 6.694 1.698 1.481 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.639 1.634 0.569 0.00 0.00 +0.016 A ATOM 16 C LIG 1 5.880 1.900 -0.782 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.159 2.264 -1.209 0.00 0.00 +0.016 A ATOM 18 C LIG 1 8.213 2.323 -0.289 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 10.262 2.342 1.679 0.00 0.00 +0.277 C ATOM 20 O LIG 1 8.919 2.055 2.055 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 1 16 BRANCH 7 21 ATOM 21 C LIG 1 -1.068 -3.468 -2.034 0.00 0.00 +0.244 C ATOM 22 N LIG 1 -2.405 -3.191 -1.871 0.00 0.00 -0.309 N ATOM 23 H LIG 1 -2.911 -4.048 -1.665 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -0.672 -4.629 -2.056 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 -2.929 -2.026 -1.155 0.00 0.00 +0.137 C BRANCH 25 26 ATOM 26 C LIG 1 -4.464 -2.063 -1.113 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 -4.888 -3.209 -0.362 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -5.860 -3.186 -0.314 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.080 -0.748 -0.573 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.530 -0.238 0.697 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -4.980 1.145 0.964 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -6.081 1.280 1.989 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -6.002 0.491 3.149 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -6.931 0.653 4.178 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -7.961 1.584 4.037 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.052 2.363 2.881 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.883 -0.512 3.209 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -7.109 2.219 1.861 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.755 -1.171 1.825 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 7 21 TORSDOF 8