REMARK Name = BDB020135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.046 0.487 -0.530 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.163 -0.873 -0.232 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.222 -1.317 0.566 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.153 -0.393 1.064 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.048 0.973 0.754 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.987 1.404 -0.058 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.353 -2.749 0.893 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.022 -3.593 0.071 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -2.702 -3.226 -1.221 0.00 0.00 +0.064 C ATOM 10 N LIG 1 -2.120 -4.931 0.412 0.00 0.00 -0.326 N ATOM 11 H LIG 1 -2.615 -5.572 -0.196 0.00 0.00 +0.169 HD ATOM 12 C LIG 1 -1.585 -5.499 1.539 0.00 0.00 +0.249 A ATOM 13 O LIG 1 -1.694 -6.690 1.801 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -0.856 -4.578 2.439 0.00 0.00 +0.071 A ATOM 15 C LIG 1 -0.759 -3.283 2.113 0.00 0.00 +0.015 A ENDBRANCH 3 7 BRANCH 1 18 ATOM 16 N LIG 1 2.348 0.770 -0.998 0.00 0.00 -0.307 N ATOM 17 H LIG 1 3.006 1.223 -1.621 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 1.049 0.964 -1.397 0.00 0.00 +0.244 C ATOM 19 O LIG 1 0.791 1.528 -2.454 0.00 0.00 -0.270 OA BRANCH 16 20 ATOM 20 C LIG 1 2.784 0.541 0.364 0.00 0.00 +0.139 C BRANCH 20 27 ATOM 21 C LIG 1 7.038 -2.069 -0.299 0.00 0.00 +0.045 C ATOM 22 C LIG 1 6.360 -0.792 0.110 0.00 0.00 -0.032 A ATOM 23 C LIG 1 7.086 0.330 0.534 0.00 0.00 +0.044 A ATOM 24 CL LIG 1 8.812 0.311 0.620 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 6.427 1.507 0.899 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.035 1.577 0.849 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.286 0.468 0.440 0.00 0.00 -0.030 A ATOM 28 C LIG 1 4.958 -0.707 0.064 0.00 0.00 +0.010 A ENDBRANCH 20 27 ENDBRANCH 16 20 ENDBRANCH 1 18 BRANCH 5 29 ATOM 29 C LIG 1 -3.069 1.965 1.272 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.885 2.489 0.199 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -3.663 3.731 -0.400 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -2.775 4.597 -0.063 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -2.848 5.403 -0.684 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -4.606 3.790 -1.433 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -4.664 4.822 -2.437 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -5.326 2.602 -1.470 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.894 1.815 -0.475 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6