REMARK Name = BDB034708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.338 0.606 -0.484 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -0.922 0.428 -1.092 0.00 0.00 +0.051 A ATOM 3 C LIG 1 -1.508 -0.823 -1.053 0.00 0.00 +0.072 A ATOM 4 N LIG 1 -2.732 -1.280 -1.573 0.00 0.00 -0.292 N ATOM 5 C LIG 1 -2.848 -2.666 -1.303 0.00 0.00 +0.330 A ATOM 6 N LIG 1 -1.707 -3.020 -0.558 0.00 0.00 -0.295 N ATOM 7 C LIG 1 -1.397 -4.334 -0.075 0.00 0.00 +0.154 C ATOM 8 O LIG 1 -3.758 -3.403 -1.648 0.00 0.00 -0.246 OA ATOM 9 C LIG 1 -0.887 -1.896 -0.416 0.00 0.00 +0.070 A ATOM 10 C LIG 1 0.329 -1.759 0.212 0.00 0.00 +0.030 A ATOM 11 C LIG 1 0.929 -0.493 0.182 0.00 0.00 +0.025 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 0.897 1.903 -0.484 0.00 0.00 -0.298 N ATOM 13 H LIG 1 0.447 2.524 -1.149 0.00 0.00 +0.154 HD BRANCH 12 16 ATOM 14 C LIG 1 4.434 1.911 0.355 0.00 0.00 +0.253 A ATOM 15 N LIG 1 3.192 1.459 0.060 0.00 0.00 -0.194 NA ATOM 16 C LIG 1 2.218 2.346 -0.216 0.00 0.00 +0.147 A ATOM 17 C LIG 1 2.478 3.712 -0.193 0.00 0.00 +0.099 A ATOM 18 CL LIG 1 1.285 4.902 -0.544 0.00 0.00 -0.078 Cl ATOM 19 C LIG 1 3.767 4.091 0.110 0.00 0.00 +0.138 A ATOM 20 N LIG 1 4.760 3.221 0.384 0.00 0.00 -0.217 NA BRANCH 14 24 ATOM 21 C LIG 1 6.335 -2.504 1.064 0.00 0.00 +0.067 C ATOM 22 C LIG 1 6.293 -1.025 0.976 0.00 0.00 +0.061 A ATOM 23 N LIG 1 5.154 -0.407 0.659 0.00 0.00 -0.169 NA ATOM 24 N LIG 1 5.452 0.929 0.660 0.00 0.00 -0.202 N ATOM 25 C LIG 1 6.791 1.137 0.986 0.00 0.00 +0.045 A ATOM 26 C LIG 1 7.442 2.468 1.079 0.00 0.00 +0.066 C ATOM 27 C LIG 1 7.340 -0.112 1.190 0.00 0.00 +0.048 A ENDBRANCH 14 24 ENDBRANCH 12 16 ENDBRANCH 1 12 BRANCH 4 28 ATOM 28 C LIG 1 -3.637 -0.531 -2.406 0.00 0.00 +0.130 C BRANCH 28 29 ATOM 29 C LIG 1 -5.084 -0.477 -1.905 0.00 0.00 +0.056 C BRANCH 29 30 ATOM 30 C LIG 1 -5.378 0.331 -0.619 0.00 0.00 +0.067 C ATOM 31 C LIG 1 -4.872 1.771 -0.734 0.00 0.00 +0.041 C BRANCH 30 32 ATOM 32 O LIG 1 -6.811 0.416 -0.517 0.00 0.00 -0.389 OA ATOM 33 H LIG 1 -7.168 -0.490 -0.542 0.00 0.00 +0.210 HD ENDBRANCH 30 32 BRANCH 30 34 ATOM 34 C LIG 1 -4.857 -0.361 0.654 0.00 0.00 +0.062 C BRANCH 34 35 ATOM 35 C LIG 1 -5.341 0.269 1.960 0.00 0.00 +0.158 C BRANCH 35 36 ATOM 36 O LIG 1 -4.802 -0.452 3.065 0.00 0.00 -0.395 OA ATOM 37 H LIG 1 -5.126 -1.367 3.002 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 4 28 TORSDOF 10