REMARK Name = BDB021497 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.583 -0.528 0.442 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.626 -0.296 1.430 0.00 0.00 +0.092 A ATOM 3 C LIG 1 1.243 -0.447 1.196 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.532 -0.170 2.327 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -0.869 -0.390 2.331 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.549 0.417 1.242 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -1.680 -0.384 0.039 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -0.602 -1.032 -0.559 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -0.763 -1.760 -1.541 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.803 -0.824 -0.078 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.786 -1.051 -1.071 0.00 0.00 +0.020 A ATOM 12 C LIG 1 3.155 -0.904 -0.820 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.875 -0.332 0.838 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 8.710 0.330 -0.401 0.00 0.00 -0.302 NA ATOM 15 C LIG 1 8.437 -1.017 0.126 0.00 0.00 +0.088 C ATOM 16 C LIG 1 7.122 -1.113 0.887 0.00 0.00 +0.060 C ATOM 17 C LIG 1 5.938 -0.767 -0.024 0.00 0.00 +0.176 C ATOM 18 C LIG 1 6.303 0.330 -1.032 0.00 0.00 +0.060 C ATOM 19 C LIG 1 7.499 1.152 -0.555 0.00 0.00 +0.088 C BRANCH 14 21 ATOM 20 C LIG 1 10.220 2.323 -0.240 0.00 0.00 +0.020 C ATOM 21 C LIG 1 9.750 1.014 0.385 0.00 0.00 +0.081 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 -3.037 -0.652 -0.464 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.889 -1.546 0.461 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -3.120 -2.688 0.873 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.705 -3.295 1.356 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -5.198 -2.039 -0.208 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -6.244 -1.097 -0.614 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -6.586 -0.095 0.402 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -7.690 0.848 -0.029 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -8.027 0.995 -1.387 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -9.032 1.897 -1.761 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -9.681 2.668 -0.798 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -9.337 2.539 0.546 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.357 0.134 -2.428 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -8.345 1.635 0.929 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.043 -0.483 -1.927 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8