REMARK Name = BDB034762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.662 -1.377 1.062 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -0.695 -1.485 0.712 0.00 0.00 +0.072 A ATOM 3 C LIG 1 -0.947 -2.813 0.372 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -2.197 -3.239 -0.015 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -3.216 -2.278 -0.052 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -2.984 -0.925 0.305 0.00 0.00 +0.033 A ATOM 7 N LIG 1 0.242 -3.533 0.527 0.00 0.00 -0.295 N ATOM 8 C LIG 1 0.387 -4.947 0.339 0.00 0.00 +0.154 C ATOM 9 C LIG 1 -1.694 -0.531 0.693 0.00 0.00 +0.051 A ATOM 10 C LIG 1 1.251 -2.663 0.996 0.00 0.00 +0.330 A ATOM 11 O LIG 1 2.393 -2.971 1.294 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 -4.058 -0.015 0.200 0.00 0.00 -0.313 N ATOM 13 H LIG 1 -4.962 -0.454 0.361 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 -4.081 1.386 0.009 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -5.103 2.183 0.557 0.00 0.00 +0.110 A ATOM 16 C LIG 1 -5.036 3.557 0.367 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 -6.215 4.653 0.981 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 -4.051 4.187 -0.312 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 -3.083 3.410 -0.831 0.00 0.00 +0.114 A ATOM 20 C LIG 1 -3.055 2.032 -0.694 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 -6.180 1.598 1.291 0.00 0.00 +0.104 C ATOM 22 N LIG 1 -7.040 1.067 1.861 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 1 23 ATOM 23 C LIG 1 1.315 -0.189 1.565 0.00 0.00 +0.128 C BRANCH 23 24 ATOM 24 C LIG 1 1.465 0.938 0.530 0.00 0.00 +0.040 C BRANCH 24 25 ATOM 25 C LIG 1 2.764 0.931 -0.306 0.00 0.00 +0.052 C ATOM 26 C LIG 1 2.901 -0.348 -1.134 0.00 0.00 +0.024 C BRANCH 25 27 ATOM 27 N LIG 1 3.908 1.187 0.580 0.00 0.00 -0.314 NA ATOM 28 H LIG 1 3.767 2.067 1.076 0.00 0.00 +0.122 HD BRANCH 27 30 ATOM 29 C LIG 1 5.403 2.373 -1.034 0.00 0.00 +0.020 C ATOM 30 C LIG 1 5.221 1.214 -0.065 0.00 0.00 +0.078 C ENDBRANCH 27 30 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8