REMARK Name = BDB006397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.558 -2.978 2.230 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.053 -1.658 1.761 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.579 -0.878 0.685 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.803 0.278 0.578 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.054 1.251 -0.406 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.120 1.044 -1.287 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.924 -0.092 -1.190 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.167 0.209 1.565 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.652 -1.065 -0.217 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.015 -0.954 2.298 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.908 -1.319 3.437 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.047 -0.247 -2.155 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.137 -0.963 -1.709 0.00 0.00 -0.307 N ATOM 14 H LIG 1 5.219 -1.153 -0.720 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.984 0.276 -3.262 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.345 -1.063 -2.497 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 7.364 -0.048 -2.046 0.00 0.00 -0.029 A ATOM 18 C LIG 1 8.369 -0.397 -1.132 0.00 0.00 +0.025 A ATOM 19 C LIG 1 9.290 0.560 -0.706 0.00 0.00 +0.041 A ATOM 20 CL LIG 1 10.520 0.118 0.414 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 9.222 1.870 -1.176 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.220 2.228 -2.078 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.295 1.276 -2.507 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 24 ATOM 24 C LIG 1 -1.168 1.246 1.819 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 -2.550 0.862 1.345 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -2.784 0.448 0.027 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.074 0.120 -0.400 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -5.167 0.208 0.473 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -4.932 0.632 1.789 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -3.642 0.961 2.219 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -6.522 -0.153 0.026 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -7.581 0.772 -0.065 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -8.875 0.357 -0.417 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -9.124 -0.980 -0.717 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -8.087 -1.906 -0.658 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -6.802 -1.497 -0.288 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -7.408 2.211 0.213 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -8.108 2.882 0.947 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -6.423 2.747 -0.527 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -6.415 3.693 -0.277 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 8