REMARK Name = BDB011373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.959 0.961 -0.211 0.00 0.00 +0.057 A ATOM 2 N LIG 1 1.091 0.014 0.357 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.178 0.502 0.221 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.572 0.099 0.565 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.305 1.345 0.164 0.00 0.00 -0.239 N ATOM 6 C LIG 1 -1.445 2.301 -0.448 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -1.687 3.395 -0.930 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.127 1.737 -0.358 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.198 2.040 -0.653 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.680 1.613 0.249 0.00 0.00 +0.127 A ATOM 11 N LIG 1 -4.609 0.979 1.050 0.00 0.00 -0.253 N ATOM 12 C LIG 1 -4.408 0.091 2.168 0.00 0.00 +0.174 C ATOM 13 N LIG 1 -5.879 1.385 0.834 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -5.764 2.370 -0.057 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -6.964 3.097 -0.532 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -4.421 2.566 -0.431 0.00 0.00 +0.068 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 -2.054 -1.123 -0.200 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -2.406 -2.298 0.488 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -2.850 -3.429 -0.203 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -2.943 -3.400 -1.592 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -3.484 -4.795 -2.441 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -2.598 -2.251 -2.295 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.156 -1.120 -1.604 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 27 ATOM 24 C LIG 1 6.117 0.637 -0.331 0.00 0.00 +0.321 A ATOM 25 N LIG 1 5.435 -0.079 -1.232 0.00 0.00 -0.159 NA ATOM 26 C LIG 1 4.093 0.042 -1.193 0.00 0.00 +0.230 A ATOM 27 C LIG 1 3.414 0.830 -0.276 0.00 0.00 +0.078 A ATOM 28 C LIG 1 4.230 1.525 0.594 0.00 0.00 +0.131 A ATOM 29 N LIG 1 5.577 1.444 0.597 0.00 0.00 -0.202 NA BRANCH 24 31 ATOM 30 C LIG 1 8.183 1.312 0.523 0.00 0.00 +0.280 C ATOM 31 O LIG 1 7.485 0.486 -0.399 0.00 0.00 -0.466 OA ENDBRANCH 24 31 BRANCH 26 32 ATOM 32 O LIG 1 3.335 -0.663 -2.111 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 4.115 -1.375 -3.066 0.00 0.00 +0.279 C ENDBRANCH 26 32 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 1.524 -1.214 1.029 0.00 0.00 +0.081 C ATOM 35 C LIG 1 1.334 -2.458 0.165 0.00 0.00 +0.030 C ATOM 36 C LIG 1 0.915 -1.387 2.421 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 6