REMARK Name = BDB027080 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.055 1.816 -1.341 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.567 3.103 -1.994 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.752 3.294 -3.374 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.320 4.466 -3.997 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.292 5.469 -3.248 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.464 5.304 -1.875 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.031 4.133 -1.250 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.063 1.295 -0.263 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -0.289 1.485 0.937 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.402 -1.370 1.193 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.247 -1.253 -0.199 0.00 0.00 +0.034 A ATOM 12 C LIG 1 3.118 -0.580 -0.690 0.00 0.00 +0.048 A ATOM 13 C LIG 1 2.145 -0.023 0.141 0.00 0.00 +0.010 A ATOM 14 C LIG 1 1.147 0.582 -0.698 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.554 0.363 -2.004 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.315 -0.150 1.535 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.735 -0.331 -1.985 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.258 -0.616 -2.801 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.437 -0.821 2.043 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 8.981 -3.168 1.888 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.584 -2.845 2.044 0.00 0.00 -0.274 N ATOM 22 N LIG 1 6.923 -3.278 3.132 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 5.688 -2.800 2.956 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.550 -2.064 1.755 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.808 -2.116 1.190 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.401 2.054 -0.754 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -2.253 2.557 0.125 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.109 0.800 -0.478 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.473 1.094 0.161 0.00 0.00 +0.051 C BRANCH 29 30 ATOM 30 C LIG 1 -5.228 -0.175 0.495 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -6.032 -0.853 -0.438 0.00 0.00 +0.045 A ATOM 32 CL LIG 1 -6.233 -0.284 -2.056 0.00 0.00 -0.083 Cl ATOM 33 C LIG 1 -6.701 -2.029 -0.085 0.00 0.00 +0.035 A ATOM 34 C LIG 1 -6.572 -2.538 1.210 0.00 0.00 +0.060 A ATOM 35 C LIG 1 -5.753 -1.895 2.139 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -5.089 -0.720 1.784 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -7.258 -3.784 1.616 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -6.731 -4.639 2.304 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -8.534 -3.851 1.180 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -8.882 -3.027 0.791 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 34 37 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10