REMARK Name = BDB061735 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.015 -2.722 -0.450 0.00 0.00 -0.030 A ATOM 2 C LIG 1 0.816 -2.215 -1.456 0.00 0.00 +0.007 A ATOM 3 C LIG 1 2.034 -1.600 -1.141 0.00 0.00 +0.023 A ATOM 4 C LIG 1 2.442 -1.475 0.187 0.00 0.00 +0.035 A ATOM 5 C LIG 1 1.616 -1.987 1.196 0.00 0.00 +0.023 A ATOM 6 C LIG 1 0.401 -2.604 0.882 0.00 0.00 +0.007 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 3.654 -0.876 0.589 0.00 0.00 -0.269 N ATOM 8 H LIG 1 3.804 -0.820 1.584 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 4.565 -0.192 -0.204 0.00 0.00 +0.308 C ATOM 10 N LIG 1 5.683 0.152 0.545 0.00 0.00 -0.269 N ATOM 11 H LIG 1 5.789 -0.335 1.422 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 4.414 0.069 -1.390 0.00 0.00 -0.252 OA BRANCH 10 13 ATOM 13 C LIG 1 6.780 0.941 0.139 0.00 0.00 +0.036 A ATOM 14 C LIG 1 6.820 1.669 -1.052 0.00 0.00 +0.043 A ATOM 15 C LIG 1 7.947 2.433 -1.367 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 7.990 3.330 -2.837 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 9.038 2.484 -0.503 0.00 0.00 +0.020 A ATOM 18 C LIG 1 9.004 1.768 0.690 0.00 0.00 +0.003 A ATOM 19 C LIG 1 7.879 1.002 1.009 0.00 0.00 +0.023 A ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 -1.320 -3.401 -0.800 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 -2.450 -2.794 -0.102 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -3.219 -3.452 -0.012 0.00 0.00 +0.148 HD BRANCH 21 32 ATOM 23 C LIG 1 -6.035 0.596 1.224 0.00 0.00 +0.158 A ATOM 24 C LIG 1 -5.546 -0.553 1.840 0.00 0.00 +0.166 A ATOM 25 F LIG 1 -6.047 -0.958 3.017 0.00 0.00 -0.202 F ATOM 26 C LIG 1 -4.535 -1.305 1.256 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -3.985 -0.913 0.016 0.00 0.00 +0.043 A ATOM 28 C LIG 1 -4.458 0.252 -0.606 0.00 0.00 +0.080 A ATOM 29 N LIG 1 -3.969 0.694 -1.766 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -2.986 -0.028 -2.316 0.00 0.00 +0.223 A ATOM 31 N LIG 1 -2.467 -1.159 -1.829 0.00 0.00 -0.220 NA ATOM 32 C LIG 1 -2.962 -1.603 -0.663 0.00 0.00 +0.130 A ATOM 33 C LIG 1 -5.474 0.984 0.005 0.00 0.00 +0.077 A BRANCH 23 34 ATOM 34 O LIG 1 -7.028 1.250 1.898 0.00 0.00 -0.489 OA BRANCH 34 36 ATOM 35 C LIG 1 -6.941 3.657 1.613 0.00 0.00 +0.048 C ATOM 36 C LIG 1 -7.671 2.366 1.285 0.00 0.00 +0.226 C ENDBRANCH 34 36 ENDBRANCH 23 34 ENDBRANCH 21 32 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7