REMARK Name = BDB065306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.675 -1.238 -0.763 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.738 -0.383 -0.176 0.00 0.00 +0.026 A ATOM 3 C LIG 1 0.625 -0.674 -0.286 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.055 -1.827 -0.954 0.00 0.00 +0.013 A ATOM 5 C LIG 1 0.120 -2.663 -1.563 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.242 -2.365 -1.476 0.00 0.00 +0.013 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.587 0.213 0.403 0.00 0.00 +0.247 C ATOM 8 N LIG 1 2.701 0.686 -0.285 0.00 0.00 -0.297 N ATOM 9 C LIG 1 2.802 0.795 -1.737 0.00 0.00 +0.110 C ATOM 10 C LIG 1 4.164 0.309 -2.225 0.00 0.00 +0.041 C ATOM 11 C LIG 1 5.329 0.732 -1.305 0.00 0.00 +0.076 C ATOM 12 C LIG 1 4.906 1.846 -0.338 0.00 0.00 +0.041 C ATOM 13 C LIG 1 3.675 1.459 0.479 0.00 0.00 +0.110 C ATOM 14 O LIG 1 1.354 0.480 1.580 0.00 0.00 -0.270 OA BRANCH 11 15 ATOM 15 N LIG 1 5.805 -0.449 -0.588 0.00 0.00 -0.311 N ATOM 16 H LIG 1 5.148 -0.880 0.055 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 7.023 -0.372 0.057 0.00 0.00 +0.215 A ATOM 18 N LIG 1 7.144 -1.135 1.153 0.00 0.00 -0.221 NA ATOM 19 C LIG 1 8.329 -1.092 1.803 0.00 0.00 +0.136 A ATOM 20 C LIG 1 9.387 -0.313 1.404 0.00 0.00 +0.077 A ATOM 21 CL LIG 1 10.871 -0.278 2.248 0.00 0.00 -0.080 Cl ATOM 22 C LIG 1 9.161 0.438 0.278 0.00 0.00 +0.136 A ATOM 23 N LIG 1 7.994 0.430 -0.406 0.00 0.00 -0.221 NA ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 3 7 BRANCH 1 26 ATOM 24 N LIG 1 -3.544 -0.470 0.559 0.00 0.00 -0.252 N ATOM 25 H LIG 1 -2.878 -0.392 1.313 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -3.137 -0.975 -0.662 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -3.836 -1.250 -1.629 0.00 0.00 -0.270 OA BRANCH 24 33 ATOM 28 C LIG 1 -8.319 0.370 0.287 0.00 0.00 +0.064 A ATOM 29 C LIG 1 -6.976 0.230 0.681 0.00 0.00 +0.103 A ATOM 30 C LIG 1 -6.612 0.553 1.985 0.00 0.00 +0.068 A ATOM 31 N LIG 1 -5.262 0.305 2.031 0.00 0.00 -0.326 N ATOM 32 H LIG 1 -4.670 0.433 2.837 0.00 0.00 +0.169 HD ATOM 33 C LIG 1 -4.857 -0.147 0.800 0.00 0.00 +0.201 A ATOM 34 C LIG 1 -7.515 1.018 2.943 0.00 0.00 +0.028 A ATOM 35 C LIG 1 -8.847 1.153 2.539 0.00 0.00 +0.003 A ATOM 36 N LIG 1 -5.872 -0.196 -0.027 0.00 0.00 -0.214 NA ATOM 37 C LIG 1 -9.246 0.837 1.237 0.00 0.00 +0.015 A BRANCH 28 41 ATOM 38 N LIG 1 -7.838 -0.419 -1.965 0.00 0.00 -0.325 N ATOM 39 H LIG 1 -6.860 -0.539 -1.694 0.00 0.00 +0.145 HD ATOM 40 H LIG 1 -8.113 -0.659 -2.905 0.00 0.00 +0.145 HD ATOM 41 C LIG 1 -8.774 0.040 -1.085 0.00 0.00 +0.244 C ATOM 42 O LIG 1 -9.947 0.174 -1.416 0.00 0.00 -0.270 OA ENDBRANCH 28 41 ENDBRANCH 24 33 ENDBRANCH 1 26 TORSDOF 6