REMARK Name = BDB021486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 1.337 -0.244 0.00 0.00 +0.124 A ATOM 2 C LIG 1 0.544 2.437 -0.361 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -0.782 2.423 0.116 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -1.395 3.619 -0.122 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -2.767 3.773 0.202 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -3.027 3.481 1.668 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -3.379 2.080 1.844 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -2.624 1.036 1.328 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -3.033 -0.126 1.377 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -1.270 1.269 0.736 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -0.401 0.158 0.840 0.00 0.00 +0.020 A ATOM 12 C LIG 1 0.913 0.188 0.360 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 2.650 1.531 -0.745 0.00 0.00 -0.489 OA BRANCH 13 18 ATOM 14 C LIG 1 7.778 -0.219 0.023 0.00 0.00 +0.403 C ATOM 15 N LIG 1 6.490 0.181 -0.292 0.00 0.00 -0.267 N ATOM 16 C LIG 1 5.677 0.861 0.707 0.00 0.00 +0.114 C ATOM 17 C LIG 1 4.243 0.346 0.685 0.00 0.00 +0.063 C ATOM 18 C LIG 1 3.597 0.454 -0.707 0.00 0.00 +0.176 C ATOM 19 C LIG 1 4.624 0.744 -1.810 0.00 0.00 +0.063 C ATOM 20 C LIG 1 5.901 -0.055 -1.605 0.00 0.00 +0.114 C ATOM 21 O LIG 1 8.306 -0.013 1.108 0.00 0.00 -0.226 OA BRANCH 14 22 ATOM 22 O LIG 1 8.370 -0.875 -1.008 0.00 0.00 -0.445 OA BRANCH 22 24 ATOM 23 C LIG 1 10.736 -0.273 -0.677 0.00 0.00 +0.055 C ATOM 24 C LIG 1 9.717 -1.398 -0.887 0.00 0.00 +0.107 C ATOM 25 C LIG 1 9.806 -2.465 0.211 0.00 0.00 +0.055 C ATOM 26 C LIG 1 9.997 -2.067 -2.241 0.00 0.00 +0.055 C ENDBRANCH 22 24 ENDBRANCH 14 22 ENDBRANCH 13 18 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 C LIG 1 -4.631 1.785 2.556 0.00 0.00 +0.140 C BRANCH 27 28 ATOM 28 C LIG 1 -5.890 1.959 1.689 0.00 0.00 +0.146 C BRANCH 28 29 ATOM 29 O LIG 1 -7.003 2.268 2.547 0.00 0.00 -0.389 OA ATOM 30 H LIG 1 -7.359 1.387 2.792 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -6.263 0.733 0.824 0.00 0.00 +0.117 C BRANCH 31 32 ATOM 32 N LIG 1 -6.943 -0.302 1.643 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -8.237 -0.708 1.054 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -8.137 -1.593 -0.168 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -6.999 -2.389 -0.389 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -6.946 -3.230 -1.509 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -8.023 -3.298 -2.392 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -9.159 -2.525 -2.166 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.814 -2.299 0.540 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -9.219 -1.680 -1.057 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.115 -1.512 1.827 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 9