REMARK Name = BDB007895 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.023 -1.118 0.319 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.813 -0.025 0.020 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -2.110 -0.466 -0.131 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -2.038 -1.831 0.126 0.00 0.00 +0.090 A ATOM 5 C LIG 1 -3.201 -2.614 0.072 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -4.421 -1.997 -0.243 0.00 0.00 -0.011 A ATOM 7 C LIG 1 -4.466 -0.621 -0.505 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -3.313 0.173 -0.454 0.00 0.00 +0.028 A ATOM 9 N LIG 1 -0.752 -2.212 0.401 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.628 -2.793 -0.313 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.758 -2.584 0.446 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -7.149 -1.613 1.486 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.691 -3.522 0.127 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.185 -4.372 -0.837 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.946 -3.935 -1.095 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.108 -4.632 -2.099 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 C LIG 1 1.458 -1.074 0.507 0.00 0.00 +0.079 C BRANCH 17 18 ATOM 18 C LIG 1 2.187 -1.413 -0.794 0.00 0.00 +0.043 C BRANCH 18 23 ATOM 19 C LIG 1 6.439 -0.681 -0.372 0.00 0.00 +0.138 A ATOM 20 C LIG 1 5.599 0.280 -0.955 0.00 0.00 +0.083 A ATOM 21 CL LIG 1 6.210 1.803 -1.504 0.00 0.00 -0.080 Cl ATOM 22 C LIG 1 4.229 0.039 -1.105 0.00 0.00 +0.027 A ATOM 23 C LIG 1 3.671 -1.168 -0.671 0.00 0.00 -0.045 A ATOM 24 C LIG 1 4.505 -2.127 -0.086 0.00 0.00 +0.007 A ATOM 25 C LIG 1 5.877 -1.887 0.059 0.00 0.00 +0.047 A BRANCH 19 27 ATOM 26 C LIG 1 8.640 -1.334 0.292 0.00 0.00 +0.277 C ATOM 27 O LIG 1 7.767 -0.359 -0.263 0.00 0.00 -0.494 OA ENDBRANCH 19 27 ENDBRANCH 18 23 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 28 ATOM 28 C LIG 1 -0.356 1.343 -0.171 0.00 0.00 +0.142 C BRANCH 28 29 ATOM 29 C LIG 1 -0.184 2.138 1.147 0.00 0.00 +0.073 C ATOM 30 C LIG 1 -1.534 2.378 1.841 0.00 0.00 +0.026 C BRANCH 29 31 ATOM 31 N LIG 1 0.536 3.420 1.005 0.00 0.00 -0.294 NA ATOM 32 C LIG 1 1.977 3.298 0.711 0.00 0.00 +0.113 C ATOM 33 C LIG 1 2.374 3.828 -0.678 0.00 0.00 +0.175 C ATOM 34 O LIG 1 1.985 5.185 -0.914 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 0.853 5.598 -0.139 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -0.111 4.441 0.163 0.00 0.00 +0.113 C ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 8