REMARK Name = BDB023088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.304 -1.646 -1.503 0.00 0.00 +0.120 C ATOM 2 C LIG 1 2.239 -2.798 -0.473 0.00 0.00 +0.166 C ATOM 3 C LIG 1 0.800 -2.763 0.064 0.00 0.00 +0.148 C ATOM 4 C LIG 1 -0.013 -2.191 -1.100 0.00 0.00 +0.023 C ATOM 5 C LIG 1 0.885 -1.053 -1.587 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 6 N LIG 1 6.153 2.471 0.635 0.00 0.00 -0.064 NA ATOM 7 C LIG 1 5.056 1.795 0.781 0.00 0.00 +0.203 A ATOM 8 C LIG 1 4.663 0.870 -0.272 0.00 0.00 +0.064 A ATOM 9 C LIG 1 5.231 0.516 -1.517 0.00 0.00 +0.033 A ATOM 10 C LIG 1 4.401 -0.429 -2.088 0.00 0.00 +0.089 A ATOM 11 N LIG 1 3.344 -0.669 -1.229 0.00 0.00 -0.328 N ATOM 12 C LIG 1 3.510 0.131 -0.135 0.00 0.00 +0.124 A ATOM 13 N LIG 1 2.737 0.254 0.960 0.00 0.00 -0.332 N ATOM 14 H LIG 1 1.843 -0.196 1.096 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 3.155 1.159 1.913 0.00 0.00 +0.200 A ATOM 16 N LIG 1 4.221 1.895 1.886 0.00 0.00 -0.215 NA BRANCH 6 18 ATOM 17 C LIG 1 7.586 4.029 1.514 0.00 0.00 +0.313 C ATOM 18 O LIG 1 6.381 3.313 1.739 0.00 0.00 -0.395 OA ENDBRANCH 6 18 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 O LIG 1 2.464 -4.053 -1.133 0.00 0.00 -0.387 OA ATOM 20 H LIG 1 2.625 -4.707 -0.425 0.00 0.00 +0.210 HD ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 O LIG 1 0.340 -4.046 0.453 0.00 0.00 -0.389 OA ATOM 22 H LIG 1 0.403 -4.616 -0.337 0.00 0.00 +0.210 HD ENDBRANCH 3 21 BRANCH 4 23 ATOM 23 C LIG 1 -1.459 -1.796 -0.776 0.00 0.00 +0.011 C BRANCH 23 24 ATOM 24 C LIG 1 -1.644 -0.847 0.412 0.00 0.00 +0.035 C BRANCH 24 25 ATOM 25 C LIG 1 -3.094 -0.468 0.592 0.00 0.00 -0.045 A ATOM 26 C LIG 1 -3.617 0.667 -0.049 0.00 0.00 +0.032 A ATOM 27 C LIG 1 -4.948 1.040 0.078 0.00 0.00 +0.073 A ATOM 28 C LIG 1 -5.791 0.240 0.876 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -7.132 0.620 1.000 0.00 0.00 +0.033 A ATOM 30 C LIG 1 -7.581 1.759 0.341 0.00 0.00 +0.081 A ATOM 31 C LIG 1 -6.680 2.497 -0.433 0.00 0.00 +0.135 A ATOM 32 CL LIG 1 -9.235 2.225 0.497 0.00 0.00 -0.080 Cl ATOM 33 C LIG 1 -5.285 -0.902 1.518 0.00 0.00 +0.010 A ATOM 34 N LIG 1 -5.387 2.139 -0.560 0.00 0.00 -0.231 NA ATOM 35 C LIG 1 -3.943 -1.255 1.374 0.00 0.00 +0.004 A BRANCH 31 36 ATOM 36 N LIG 1 -7.080 3.657 -1.121 0.00 0.00 -0.342 N ATOM 37 H LIG 1 -7.455 4.321 -0.449 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -7.842 3.417 -1.750 0.00 0.00 +0.144 HD ENDBRANCH 31 36 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 8