REMARK Name = BDB007155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.825 -2.667 -3.157 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.803 -1.495 -2.236 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.329 -0.999 -1.518 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.089 0.108 -0.774 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.798 0.828 0.047 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.135 0.418 0.104 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.578 -0.679 -0.637 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.445 0.266 -1.014 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.681 -1.401 -1.437 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.881 -0.680 -1.923 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.290 -0.751 -2.408 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.992 -1.139 -0.580 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.940 -0.158 -0.386 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.669 0.813 -0.471 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.264 -2.326 -0.725 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.361 -0.463 -0.384 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.893 -0.637 -1.810 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 7.097 0.605 0.407 0.00 0.00 -0.026 A ATOM 19 C LIG 1 7.401 1.863 -0.137 0.00 0.00 +0.025 A ATOM 20 C LIG 1 8.055 2.827 0.634 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 8.421 4.362 -0.053 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 8.406 2.560 1.954 0.00 0.00 +0.020 A ATOM 23 C LIG 1 8.097 1.322 2.512 0.00 0.00 +0.002 A ATOM 24 C LIG 1 7.443 0.354 1.746 0.00 0.00 +0.005 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 -2.280 1.308 -0.412 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -3.189 0.777 0.671 0.00 0.00 -0.024 A ATOM 27 C LIG 1 -4.555 1.093 0.649 0.00 0.00 +0.051 A ATOM 28 C LIG 1 -5.406 0.606 1.640 0.00 0.00 +0.122 A ATOM 29 C LIG 1 -4.910 -0.149 2.699 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -3.552 -0.457 2.742 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.697 0.002 1.735 0.00 0.00 +0.005 A BRANCH 28 32 ATOM 32 O LIG 1 -6.731 0.940 1.595 0.00 0.00 -0.478 OA BRANCH 32 33 ATOM 33 C LIG 1 -7.528 -0.134 1.074 0.00 0.00 +0.278 C ATOM 34 C LIG 1 -8.886 -0.042 1.761 0.00 0.00 +0.064 C BRANCH 33 35 ATOM 35 C LIG 1 -7.714 -0.019 -0.441 0.00 0.00 +0.346 C ATOM 36 O LIG 1 -7.312 0.867 -1.179 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 -8.402 -1.060 -0.962 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 -8.458 -0.850 -1.921 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 9