REMARK Name = BDB027192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.043 -0.364 -0.048 0.00 0.00 +0.071 A ATOM 2 N LIG 1 2.136 0.908 0.396 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 1.037 1.700 0.284 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.191 1.318 -0.262 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.259 -0.002 -0.738 0.00 0.00 -0.003 A ATOM 6 C LIG 1 0.870 -0.838 -0.628 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 5.603 -2.757 0.462 0.00 0.00 +0.070 A ATOM 8 C LIG 1 4.342 -3.356 0.502 0.00 0.00 +0.059 A ATOM 9 CL LIG 1 4.142 -5.056 0.750 0.00 0.00 -0.082 Cl ATOM 10 C LIG 1 3.183 -2.583 0.340 0.00 0.00 +0.031 A ATOM 11 C LIG 1 3.253 -1.194 0.127 0.00 0.00 +0.002 A ATOM 12 C LIG 1 4.532 -0.610 0.100 0.00 0.00 +0.011 A ATOM 13 C LIG 1 5.692 -1.376 0.262 0.00 0.00 +0.021 A BRANCH 7 15 ATOM 14 N LIG 1 7.806 -4.098 0.740 0.00 0.00 -0.191 NA ATOM 15 C LIG 1 6.811 -3.513 0.620 0.00 0.00 +0.101 C ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.302 2.160 -0.348 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -1.462 2.866 -1.636 0.00 0.00 +0.123 C ATOM 18 C LIG 1 -0.905 4.313 -1.626 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -1.477 5.077 -0.428 0.00 0.00 +0.021 C ATOM 20 C LIG 1 -1.200 4.349 0.886 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -1.700 2.907 0.856 0.00 0.00 +0.105 C BRANCH 18 22 ATOM 22 N LIG 1 0.562 4.372 -1.595 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 0.954 3.815 -2.354 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 0.876 5.330 -1.738 0.00 0.00 +0.119 HD ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 5 25 ATOM 25 C LIG 1 -1.534 -0.591 -1.291 0.00 0.00 +0.161 C BRANCH 25 26 ATOM 26 N LIG 1 -2.291 -1.265 -0.255 0.00 0.00 -0.310 N ATOM 27 C LIG 1 -2.207 -2.589 0.078 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -3.140 -2.757 1.089 0.00 0.00 +0.147 A ATOM 29 C LIG 1 -3.257 -4.049 1.629 0.00 0.00 +0.147 A ATOM 30 N LIG 1 -2.483 -5.035 1.120 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 -1.614 -4.723 0.135 0.00 0.00 +0.225 A ATOM 32 N LIG 1 -3.800 -1.573 1.355 0.00 0.00 -0.231 NA ATOM 33 N LIG 1 -1.402 -3.527 -0.452 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 -3.258 -0.698 0.532 0.00 0.00 +0.202 A BRANCH 29 35 ATOM 35 N LIG 1 -4.146 -4.371 2.647 0.00 0.00 -0.341 N ATOM 36 H LIG 1 -4.372 -5.356 2.661 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -4.906 -3.707 2.743 0.00 0.00 +0.144 HD ENDBRANCH 29 35 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7