REMARK Name = BDB011064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.077 1.384 -0.063 0.00 0.00 +0.151 A ATOM 2 N LIG 1 -0.445 0.262 0.469 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.219 -0.832 0.137 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.027 -0.358 -0.883 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -2.855 -1.119 -1.613 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 -2.850 -2.402 -1.236 0.00 0.00 +0.220 A ATOM 7 N LIG 1 -2.143 -2.954 -0.224 0.00 0.00 -0.221 NA ATOM 8 C LIG 1 -1.325 -2.166 0.513 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.896 0.987 -1.028 0.00 0.00 -0.209 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.716 -3.324 -2.000 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -4.441 -2.766 -3.004 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -5.133 -3.811 -3.529 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -5.915 -3.757 -4.461 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -4.773 -4.914 -2.807 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -5.121 -5.851 -2.955 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -3.874 -4.606 -1.836 0.00 0.00 -0.127 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 -0.675 -2.793 1.655 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.017 -4.007 1.527 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.639 -4.577 2.634 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 1.510 -6.047 2.487 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.547 -3.923 3.852 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.125 -2.761 4.030 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 -0.734 -2.242 2.936 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -0.814 2.852 0.324 0.00 0.00 +0.168 C ATOM 25 C LIG 1 -0.709 3.009 1.861 0.00 0.00 +0.057 C BRANCH 24 26 ATOM 26 C LIG 1 -1.980 3.802 -0.045 0.00 0.00 +0.115 A ATOM 27 C LIG 1 -1.754 5.124 -0.430 0.00 0.00 +0.148 A ATOM 28 F LIG 1 -0.516 5.628 -0.532 0.00 0.00 -0.203 F ATOM 29 C LIG 1 -2.829 5.966 -0.693 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -4.123 5.485 -0.546 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -4.285 4.181 -0.117 0.00 0.00 +0.111 A ATOM 32 N LIG 1 -3.256 3.349 0.160 0.00 0.00 -0.254 NA ENDBRANCH 24 26 BRANCH 24 34 ATOM 33 C LIG 1 0.590 3.140 -1.638 0.00 0.00 +0.195 C ATOM 34 O LIG 1 0.476 3.211 -0.217 0.00 0.00 -0.363 OA ENDBRANCH 24 34 ENDBRANCH 1 24 BRANCH 2 35 ATOM 35 C LIG 1 0.855 0.236 1.125 0.00 0.00 +0.127 C BRANCH 35 36 ATOM 36 C LIG 1 1.912 -0.716 0.516 0.00 0.00 +0.009 C ATOM 37 C LIG 1 3.128 -0.785 1.464 0.00 0.00 +0.005 C ATOM 38 C LIG 1 4.407 -1.146 0.720 0.00 0.00 +0.003 C ATOM 39 C LIG 1 4.774 -0.065 -0.313 0.00 0.00 -0.014 C ATOM 40 C LIG 1 5.699 -0.652 -1.381 0.00 0.00 +0.007 C ATOM 41 C LIG 1 3.534 0.595 -0.944 0.00 0.00 +0.003 C ATOM 42 C LIG 1 2.321 -0.329 -0.919 0.00 0.00 +0.005 C ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 7