REMARK Name = BDB024960 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.365 1.644 0.702 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.421 0.607 0.808 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.870 -0.717 1.286 0.00 0.00 +0.082 C ATOM 4 C LIG 1 4.807 -0.799 2.817 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.121 -1.853 0.598 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.634 -1.735 0.841 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.138 -0.346 0.550 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.758 -0.146 0.306 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.249 -1.083 0.271 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.354 -0.420 -0.013 0.00 0.00 +0.112 A ATOM 11 N LIG 1 -1.104 0.936 -0.116 0.00 0.00 -0.322 N ATOM 12 C LIG 1 0.253 1.122 0.059 0.00 0.00 +0.070 A ATOM 13 C LIG 1 1.078 2.242 0.038 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.445 2.042 0.286 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.006 0.779 0.541 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.182 2.760 0.229 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.105 1.971 -0.376 0.00 0.00 +0.115 C ATOM 18 C LIG 1 -2.135 3.094 0.678 0.00 0.00 +0.184 C ATOM 19 O LIG 1 -1.552 4.296 0.175 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -2.281 4.864 -0.913 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.777 3.824 -1.917 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -1.997 2.522 -1.806 0.00 0.00 +0.029 C ENDBRANCH 11 17 BRANCH 1 24 ATOM 23 C LIG 1 7.593 2.296 1.111 0.00 0.00 +0.282 C ATOM 24 O LIG 1 6.591 1.280 1.192 0.00 0.00 -0.453 OA ENDBRANCH 1 24 BRANCH 10 25 ATOM 25 C LIG 1 -2.702 -1.057 -0.190 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 -2.624 -2.596 -0.244 0.00 0.00 +0.135 C BRANCH 26 27 ATOM 27 C LIG 1 -3.837 -3.159 -0.985 0.00 0.00 -0.032 A ATOM 28 C LIG 1 -5.149 -2.928 -0.537 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -6.239 -3.433 -1.248 0.00 0.00 +0.041 A ATOM 30 CL LIG 1 -7.838 -3.130 -0.690 0.00 0.00 -0.084 Cl ATOM 31 C LIG 1 -6.042 -4.175 -2.410 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -4.747 -4.416 -2.864 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -3.652 -3.911 -2.158 0.00 0.00 +0.004 A ENDBRANCH 26 27 BRANCH 26 34 ATOM 34 C LIG 1 -2.465 -3.180 1.163 0.00 0.00 +0.313 C ATOM 35 O LIG 1 -3.346 -3.752 1.790 0.00 0.00 -0.250 OA BRANCH 34 36 ATOM 36 O LIG 1 -1.230 -3.012 1.694 0.00 0.00 -0.480 OA ATOM 37 H LIG 1 -0.640 -2.435 1.145 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 26 34 ENDBRANCH 25 26 ENDBRANCH 10 25 TORSDOF 7