REMARK Name = BDB019483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.393 -2.334 0.917 0.00 0.00 -0.222 N ATOM 2 C LIG 1 -0.055 -1.039 0.581 0.00 0.00 +0.073 A ATOM 3 C LIG 1 -1.243 -0.421 0.149 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -1.161 0.939 -0.237 0.00 0.00 +0.047 A ATOM 5 C LIG 1 0.072 1.613 -0.243 0.00 0.00 +0.022 A ATOM 6 C LIG 1 1.249 0.984 0.172 0.00 0.00 -0.012 A ATOM 7 C LIG 1 -2.282 -1.420 0.179 0.00 0.00 -0.023 A ATOM 8 C LIG 1 -3.704 -1.283 -0.237 0.00 0.00 +0.046 C ATOM 9 C LIG 1 1.178 -0.353 0.601 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -1.710 -2.585 0.650 0.00 0.00 +0.116 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.535 1.705 0.157 0.00 0.00 +0.017 A ATOM 12 C LIG 1 3.365 1.763 1.286 0.00 0.00 +0.131 A ATOM 13 F LIG 1 2.993 1.165 2.429 0.00 0.00 -0.205 F ATOM 14 C LIG 1 4.585 2.441 1.274 0.00 0.00 +0.044 A ATOM 15 C LIG 1 5.018 3.089 0.113 0.00 0.00 -0.031 A ATOM 16 C LIG 1 4.201 3.044 -1.025 0.00 0.00 +0.005 A ATOM 17 C LIG 1 2.978 2.362 -1.003 0.00 0.00 +0.011 A BRANCH 15 18 ATOM 18 C LIG 1 6.334 3.839 0.089 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 7.265 3.349 -0.942 0.00 0.00 -0.304 NA ATOM 20 C LIG 1 7.768 2.012 -0.619 0.00 0.00 +0.104 C ATOM 21 C LIG 1 8.387 4.279 -1.083 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 6 11 BRANCH 4 22 ATOM 22 C LIG 1 -2.341 1.715 -0.656 0.00 0.00 +0.245 C ATOM 23 N LIG 1 -3.300 1.880 0.312 0.00 0.00 -0.307 N ATOM 24 H LIG 1 -3.159 1.486 1.235 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -2.379 2.210 -1.774 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -4.472 2.706 0.118 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 C LIG 1 -5.690 1.833 0.098 0.00 0.00 +0.037 A ATOM 28 C LIG 1 -6.193 1.429 1.452 0.00 0.00 +0.254 A ATOM 29 O LIG 1 -5.614 1.752 2.486 0.00 0.00 -0.268 OA ATOM 30 N LIG 1 -7.329 0.661 1.482 0.00 0.00 -0.326 N ATOM 31 H LIG 1 -7.650 0.400 2.407 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 -8.011 0.237 0.370 0.00 0.00 +0.016 A ATOM 33 C LIG 1 -9.230 -0.602 0.595 0.00 0.00 +0.063 C ATOM 34 C LIG 1 -7.560 0.589 -0.843 0.00 0.00 +0.024 A ATOM 35 C LIG 1 -6.368 1.413 -0.994 0.00 0.00 -0.039 A ATOM 36 C LIG 1 -5.988 1.708 -2.419 0.00 0.00 +0.044 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 4 22 BRANCH 1 37 ATOM 37 S LIG 1 0.719 -3.555 1.355 0.00 0.00 +0.061 S ATOM 38 O LIG 1 1.603 -2.912 2.309 0.00 0.00 -0.152 OA ATOM 39 O LIG 1 -0.098 -4.693 1.739 0.00 0.00 -0.152 OA BRANCH 37 40 ATOM 40 C LIG 1 1.705 -4.065 -0.082 0.00 0.00 +0.112 C ATOM 41 C LIG 1 1.331 -3.498 -1.432 0.00 0.00 +0.034 C ATOM 42 C LIG 1 0.949 -4.910 -1.087 0.00 0.00 +0.034 C BRANCH 40 43 ATOM 43 C LIG 1 3.125 -4.379 0.270 0.00 0.00 +0.058 C BRANCH 43 45 ATOM 44 C LIG 1 3.743 -5.720 2.301 0.00 0.00 +0.004 C ATOM 45 C LIG 1 3.322 -5.661 1.032 0.00 0.00 -0.032 C ENDBRANCH 43 45 ENDBRANCH 40 43 ENDBRANCH 37 40 ENDBRANCH 1 37 TORSDOF 10