REMARK Name = BDB010018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.749 -1.074 0.152 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.561 -0.351 0.125 0.00 0.00 -0.312 N ATOM 3 C LIG 1 -0.460 -1.238 -0.179 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.168 -2.474 -0.199 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.460 -3.643 -0.386 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.778 -3.497 -0.544 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.473 -2.336 -0.562 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.835 -1.162 -0.402 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.508 -2.360 -0.006 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 5.696 -0.518 3.158 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.027 -0.283 1.836 0.00 0.00 -0.050 A ATOM 12 C LIG 1 3.738 -0.779 1.597 0.00 0.00 +0.015 A ATOM 13 C LIG 1 3.088 -0.534 0.379 0.00 0.00 +0.018 A ATOM 14 C LIG 1 3.759 0.176 -0.621 0.00 0.00 +0.011 A ATOM 15 C LIG 1 5.035 0.689 -0.386 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.661 0.470 0.842 0.00 0.00 +0.003 A ENDBRANCH 1 13 BRANCH 2 17 ATOM 17 C LIG 1 0.387 1.061 0.501 0.00 0.00 +0.116 C ATOM 18 C LIG 1 0.770 1.307 1.969 0.00 0.00 +0.036 C BRANCH 17 19 ATOM 19 C LIG 1 0.975 2.011 -0.540 0.00 0.00 -0.025 A ATOM 20 C LIG 1 1.837 3.066 -0.191 0.00 0.00 +0.007 A ATOM 21 C LIG 1 2.348 3.932 -1.164 0.00 0.00 +0.020 A ATOM 22 C LIG 1 1.999 3.762 -2.499 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 2.632 4.824 -3.693 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 1.139 2.734 -2.871 0.00 0.00 +0.020 A ATOM 25 C LIG 1 0.628 1.869 -1.899 0.00 0.00 +0.007 A ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 6 26 ATOM 26 C LIG 1 -2.563 -4.768 -0.735 0.00 0.00 +0.375 C ATOM 27 O LIG 1 -2.128 -5.907 -0.749 0.00 0.00 -0.242 OA BRANCH 26 28 ATOM 28 O LIG 1 -3.891 -4.559 -0.906 0.00 0.00 -0.475 OA ATOM 29 H LIG 1 -4.254 -5.462 -1.011 0.00 0.00 +0.296 HD ENDBRANCH 26 28 ENDBRANCH 6 26 BRANCH 8 30 ATOM 30 N LIG 1 -2.529 0.035 -0.471 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -2.020 0.738 -0.992 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.966 0.094 -0.752 0.00 0.00 +0.072 C ATOM 33 C LIG 1 -4.320 -0.419 -2.145 0.00 0.00 +0.028 C BRANCH 32 34 ATOM 34 C LIG 1 -4.777 -0.560 0.335 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -4.830 0.042 1.718 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -6.049 0.078 0.840 0.00 0.00 +0.005 C ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 8