REMARK Name = BDB030133 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.722 0.786 -1.118 0.00 0.00 +0.262 C ATOM 2 N LIG 1 -1.578 0.894 -2.208 0.00 0.00 -0.228 N ATOM 3 H LIG 1 -1.236 0.631 -3.131 0.00 0.00 +0.171 HD ATOM 4 O LIG 1 -1.119 0.738 0.043 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.022 0.601 -0.519 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.633 0.678 -0.320 0.00 0.00 +0.026 A ATOM 7 C LIG 1 0.738 0.709 -1.404 0.00 0.00 +0.075 A ATOM 8 C LIG 1 1.250 0.658 -2.699 0.00 0.00 +0.154 A ATOM 9 F LIG 1 0.423 0.677 -3.758 0.00 0.00 -0.203 F ATOM 10 C LIG 1 2.627 0.583 -2.910 0.00 0.00 +0.077 A ATOM 11 CL LIG 1 3.258 0.525 -4.513 0.00 0.00 -0.081 Cl ATOM 12 C LIG 1 3.511 0.555 -1.830 0.00 0.00 +0.033 A BRANCH 5 16 ATOM 13 C LIG 1 6.988 0.375 2.466 0.00 0.00 +0.150 C ATOM 14 N LIG 1 5.648 0.475 1.948 0.00 0.00 -0.339 N ATOM 15 C LIG 1 5.283 0.451 0.630 0.00 0.00 +0.115 A ATOM 16 C LIG 1 3.908 0.574 0.636 0.00 0.00 +0.089 A ATOM 17 N LIG 1 3.449 0.671 1.930 0.00 0.00 -0.236 NA ATOM 18 C LIG 1 4.516 0.610 2.694 0.00 0.00 +0.199 A ENDBRANCH 5 16 ENDBRANCH 1 7 BRANCH 2 19 ATOM 19 N LIG 1 -3.045 0.606 -1.950 0.00 0.00 -0.106 NA ATOM 20 H LIG 1 -3.720 1.083 -2.553 0.00 0.00 +0.172 HD BRANCH 19 21 ATOM 21 S LIG 1 -3.477 -1.041 -1.763 0.00 0.00 +0.091 S ATOM 22 O LIG 1 -4.528 -1.294 -2.729 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 -2.259 -1.832 -1.789 0.00 0.00 -0.150 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.160 -1.067 -0.117 0.00 0.00 +0.197 A ATOM 25 N LIG 1 -5.430 -0.579 -0.033 0.00 0.00 -0.213 NA ATOM 26 C LIG 1 -5.990 -0.596 1.182 0.00 0.00 +0.118 A ATOM 27 C LIG 1 -5.331 -1.065 2.313 0.00 0.00 +0.043 A ATOM 28 C LIG 1 -4.033 -1.561 2.192 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -3.426 -1.571 0.944 0.00 0.00 +0.049 A BRANCH 26 30 ATOM 30 N LIG 1 -7.280 -0.082 1.279 0.00 0.00 -0.343 N ATOM 31 H LIG 1 -7.582 0.154 0.337 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 -7.912 -0.737 1.723 0.00 0.00 +0.144 HD ENDBRANCH 26 30 ENDBRANCH 21 24 ENDBRANCH 19 21 ENDBRANCH 2 19 TORSDOF 6