REMARK Name = BDB011208 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.343 0.725 0.532 0.00 0.00 +0.054 A ATOM 2 N LIG 1 0.343 0.684 -0.444 0.00 0.00 -0.339 N ATOM 3 C LIG 1 -0.851 0.676 0.215 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.288 0.645 -0.153 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.887 0.657 1.216 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.917 0.781 2.240 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -2.054 0.934 3.442 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.650 0.751 1.559 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.723 0.785 1.784 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.295 0.690 1.426 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.933 0.013 2.489 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.230 -0.911 3.449 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.327 0.146 2.659 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -7.096 0.886 1.765 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.476 1.504 0.690 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -7.415 2.410 -0.433 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -5.095 1.408 0.517 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.691 -0.575 -0.962 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.471 -1.880 -0.485 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.847 -2.990 -1.244 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.451 -2.807 -2.485 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -3.914 -4.173 -3.422 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.682 -1.524 -2.974 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.304 -0.412 -2.216 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 25 C LIG 1 4.814 -0.587 -0.045 0.00 0.00 +0.038 A ATOM 26 C LIG 1 3.432 -0.524 0.151 0.00 0.00 +0.026 A ATOM 27 C LIG 1 2.787 0.714 0.283 0.00 0.00 +0.041 A ATOM 28 C LIG 1 3.542 1.905 0.242 0.00 0.00 +0.129 A ATOM 29 C LIG 1 4.923 1.834 0.029 0.00 0.00 +0.047 A ATOM 30 C LIG 1 5.557 0.595 -0.118 0.00 0.00 +0.016 A BRANCH 25 34 ATOM 31 C LIG 1 7.407 -3.319 0.246 0.00 0.00 +0.128 C ATOM 32 N LIG 1 6.750 -2.036 0.238 0.00 0.00 -0.314 N ATOM 33 H LIG 1 7.113 -1.319 0.852 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 5.447 -1.923 -0.204 0.00 0.00 +0.244 C ATOM 35 O LIG 1 4.807 -2.853 -0.679 0.00 0.00 -0.270 OA ENDBRANCH 25 34 BRANCH 28 36 ATOM 36 O LIG 1 2.841 3.076 0.386 0.00 0.00 -0.494 OA ATOM 37 C LIG 1 3.587 4.277 0.524 0.00 0.00 +0.277 C ENDBRANCH 28 36 ENDBRANCH 1 27 BRANCH 2 38 ATOM 38 C LIG 1 0.478 0.659 -1.900 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.305 1.810 -2.473 0.00 0.00 +0.030 C ATOM 40 C LIG 1 0.946 -0.696 -2.426 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 6