REMARK Name = BDB063812 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.754 0.383 -0.681 0.00 0.00 +0.032 A ATOM 2 C LIG 1 1.628 -0.422 -0.430 0.00 0.00 +0.051 A ATOM 3 C LIG 1 0.397 0.074 -0.003 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.255 1.448 0.182 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.017 1.880 0.597 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -2.015 1.016 0.841 0.00 0.00 -0.216 NA ATOM 7 C LIG 1 -1.775 -0.294 0.652 0.00 0.00 +0.142 A ATOM 8 C LIG 1 1.367 2.287 -0.048 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -0.602 -0.787 0.217 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 2.589 1.756 -0.471 0.00 0.00 +0.024 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.295 -2.481 -1.763 0.00 0.00 +0.105 C ATOM 12 N LIG 1 6.560 -1.266 -2.106 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 5.244 -1.570 -2.706 0.00 0.00 +0.103 C ATOM 14 C LIG 1 4.029 -1.476 -1.751 0.00 0.00 +0.120 C ATOM 15 N LIG 1 3.958 -0.154 -1.103 0.00 0.00 -0.327 N ATOM 16 C LIG 1 5.227 0.587 -0.993 0.00 0.00 +0.120 C ATOM 17 C LIG 1 6.423 -0.391 -0.922 0.00 0.00 +0.103 C ENDBRANCH 1 15 BRANCH 7 18 ATOM 18 C LIG 1 -2.937 -1.275 0.877 0.00 0.00 +0.055 C ATOM 19 C LIG 1 -3.763 -0.882 2.133 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -2.926 -1.323 3.332 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -2.077 -2.487 2.836 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -2.432 -2.664 1.361 0.00 0.00 +0.019 C BRANCH 18 23 ATOM 23 C LIG 1 -3.784 -1.371 -0.401 0.00 0.00 -0.034 A ATOM 24 C LIG 1 -4.901 -0.541 -0.603 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -5.653 -0.616 -1.780 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -5.288 -1.512 -2.780 0.00 0.00 +0.041 A ATOM 27 CL LIG 1 -6.211 -1.601 -4.229 0.00 0.00 -0.084 Cl ATOM 28 C LIG 1 -4.173 -2.327 -2.616 0.00 0.00 +0.020 A ATOM 29 C LIG 1 -3.423 -2.252 -1.439 0.00 0.00 +0.006 A ENDBRANCH 18 23 ENDBRANCH 7 18 BRANCH 5 30 ATOM 30 N LIG 1 -1.251 3.262 0.792 0.00 0.00 -0.327 N ATOM 31 H LIG 1 -0.989 3.747 -0.064 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 -2.628 3.596 1.184 0.00 0.00 +0.118 C BRANCH 32 33 ATOM 33 C LIG 1 -2.747 5.120 1.387 0.00 0.00 +0.096 C BRANCH 33 34 ATOM 34 N LIG 1 -1.719 5.642 2.299 0.00 0.00 -0.329 NA ATOM 35 H LIG 1 -0.837 5.195 2.027 0.00 0.00 +0.118 HD ATOM 36 H LIG 1 -1.895 5.266 3.231 0.00 0.00 +0.118 HD ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 7