REMARK Name = BDB009738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.213 -0.964 0.244 0.00 0.00 -0.289 N ATOM 2 C LIG 1 -1.240 0.103 0.086 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.602 -0.240 0.777 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -3.001 -1.722 0.739 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.082 -2.643 -0.067 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.277 -2.517 -1.590 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.615 -2.314 0.249 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.196 -3.232 0.404 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.816 1.481 0.607 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.457 1.678 1.954 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.116 2.949 2.424 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.142 4.037 1.556 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.283 5.600 2.132 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.511 3.867 0.224 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.852 2.597 -0.248 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.743 0.658 0.293 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -4.287 1.619 1.164 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.310 2.466 0.735 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -5.955 3.639 1.815 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.810 2.370 -0.560 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.281 1.421 -1.433 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.254 0.573 -1.011 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.223 -0.782 -0.189 0.00 0.00 +0.090 C BRANCH 23 25 ATOM 24 C LIG 1 1.119 0.330 -2.553 0.00 0.00 +0.006 C ATOM 25 C LIG 1 1.395 -0.917 -1.726 0.00 0.00 +0.020 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 2.033 0.391 0.429 0.00 0.00 +0.107 C BRANCH 26 27 ATOM 27 N LIG 1 3.482 0.388 0.130 0.00 0.00 -0.296 NA ATOM 28 C LIG 1 4.200 -0.745 0.766 0.00 0.00 +0.116 C ATOM 29 C LIG 1 5.740 -0.599 0.661 0.00 0.00 +0.133 C ATOM 30 O LIG 1 6.123 0.609 1.357 0.00 0.00 -0.371 OA ATOM 31 C LIG 1 5.646 1.639 0.462 0.00 0.00 +0.133 C ATOM 32 C LIG 1 6.148 1.175 -0.902 0.00 0.00 +0.035 C ATOM 33 C LIG 1 6.215 -0.343 -0.766 0.00 0.00 +0.035 C ATOM 34 C LIG 1 4.101 1.669 0.557 0.00 0.00 +0.116 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 35 ATOM 35 C LIG 1 -2.326 -4.125 0.354 0.00 0.00 +0.136 C BRANCH 35 36 ATOM 36 C LIG 1 -3.743 -4.621 0.225 0.00 0.00 +0.306 C ATOM 37 O LIG 1 -4.633 -4.166 -0.471 0.00 0.00 -0.251 OA BRANCH 36 38 ATOM 38 O LIG 1 -3.961 -5.718 0.976 0.00 0.00 -0.481 OA ATOM 39 H LIG 1 -4.893 -5.959 0.791 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9