REMARK Name = BDB017548 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.597 0.784 1.163 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -3.300 0.057 0.183 0.00 0.00 +0.061 A ATOM 3 C LIG 1 -2.655 -1.066 -0.362 0.00 0.00 +0.055 A ATOM 4 N LIG 1 -3.283 -1.821 -1.358 0.00 0.00 -0.322 N ATOM 5 H LIG 1 -2.820 -2.625 -1.759 0.00 0.00 +0.169 HD ATOM 6 C LIG 1 -4.522 -1.543 -1.857 0.00 0.00 +0.254 A ATOM 7 C LIG 1 -5.228 -0.371 -1.280 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -6.610 -0.084 -1.808 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -7.138 1.296 -1.394 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.791 1.598 0.059 0.00 0.00 +0.102 C ATOM 11 N LIG 1 -5.356 1.454 0.238 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -5.005 1.713 1.162 0.00 0.00 +0.146 HD ATOM 13 O LIG 1 -5.026 -2.240 -2.732 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -1.382 -1.464 0.065 0.00 0.00 +0.031 A ATOM 15 C LIG 1 -0.707 -0.745 1.058 0.00 0.00 -0.028 A ATOM 16 C LIG 1 -4.664 0.383 -0.315 0.00 0.00 +0.048 A ATOM 17 C LIG 1 -1.333 0.376 1.613 0.00 0.00 +0.051 A ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 -2.626 3.081 1.163 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -3.147 1.892 1.768 0.00 0.00 -0.494 OA ENDBRANCH 1 19 BRANCH 15 20 ATOM 20 C LIG 1 0.652 -1.193 1.554 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 N LIG 1 1.612 -1.442 0.468 0.00 0.00 -0.295 NA ATOM 22 C LIG 1 2.055 -0.199 -0.204 0.00 0.00 +0.103 C ATOM 23 C LIG 1 3.407 0.383 0.273 0.00 0.00 +0.120 C ATOM 24 N LIG 1 4.486 -0.615 0.179 0.00 0.00 -0.327 N ATOM 25 C LIG 1 4.069 -2.026 0.162 0.00 0.00 +0.120 C ATOM 26 C LIG 1 2.769 -2.211 0.978 0.00 0.00 +0.103 C BRANCH 24 27 ATOM 27 C LIG 1 5.800 -0.236 -0.042 0.00 0.00 +0.030 A ATOM 28 C LIG 1 6.263 1.047 0.304 0.00 0.00 +0.026 A ATOM 29 C LIG 1 7.590 1.440 0.091 0.00 0.00 +0.040 A ATOM 30 C LIG 1 8.482 0.546 -0.477 0.00 0.00 +0.124 A ATOM 31 F LIG 1 9.752 0.916 -0.683 0.00 0.00 -0.205 F ATOM 32 C LIG 1 8.071 -0.728 -0.831 0.00 0.00 +0.040 A ATOM 33 C LIG 1 6.742 -1.111 -0.611 0.00 0.00 +0.026 A ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 15 20 TORSDOF 4