REMARK Name = BDB009572 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.105 -0.227 0.953 0.00 0.00 -0.291 N ATOM 2 C LIG 1 -1.008 -0.713 0.084 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.178 0.332 -0.044 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.340 1.220 1.204 0.00 0.00 +0.023 C ATOM 5 C LIG 1 -1.692 0.591 2.432 0.00 0.00 +0.086 C ATOM 6 C LIG 1 -0.208 0.446 2.145 0.00 0.00 +0.220 C ATOM 7 O LIG 1 0.639 0.875 2.927 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 -0.626 -1.182 -1.321 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -0.063 -0.314 -2.271 0.00 0.00 +0.007 A ATOM 10 C LIG 1 0.240 -0.761 -3.560 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -0.036 -2.077 -3.920 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 0.334 -2.626 -5.506 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -0.617 -2.949 -3.003 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -0.914 -2.503 -1.713 0.00 0.00 +0.007 A ENDBRANCH 2 8 BRANCH 3 15 ATOM 15 C LIG 1 -3.491 -0.343 -0.442 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -3.916 -0.291 -1.781 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -5.099 -0.917 -2.176 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -5.595 -0.845 -3.823 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -5.880 -1.601 -1.250 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.471 -1.662 0.081 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.284 -1.042 0.482 0.00 0.00 +0.004 A ENDBRANCH 3 15 BRANCH 1 22 ATOM 22 C LIG 1 1.531 -0.643 0.803 0.00 0.00 +0.077 C BRANCH 22 24 ATOM 23 C LIG 1 3.131 -2.639 0.819 0.00 0.00 +0.006 C ATOM 24 C LIG 1 1.742 -2.131 0.452 0.00 0.00 +0.019 C ENDBRANCH 22 24 BRANCH 22 25 ATOM 25 C LIG 1 2.302 0.337 -0.103 0.00 0.00 +0.028 C BRANCH 25 26 ATOM 26 C LIG 1 3.543 0.922 0.586 0.00 0.00 +0.057 C BRANCH 26 27 ATOM 27 C LIG 1 4.347 1.866 -0.282 0.00 0.00 +0.041 A ATOM 28 N LIG 1 3.874 2.186 -1.511 0.00 0.00 -0.260 NA ATOM 29 C LIG 1 4.609 3.035 -2.261 0.00 0.00 +0.111 A ATOM 30 C LIG 1 5.805 3.595 -1.846 0.00 0.00 +0.020 A ATOM 31 C LIG 1 6.276 3.264 -0.583 0.00 0.00 +0.003 A ATOM 32 C LIG 1 5.540 2.390 0.213 0.00 0.00 +0.023 A ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 5 33 ATOM 33 C LIG 1 -1.926 1.433 3.695 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 -3.309 1.229 4.260 0.00 0.00 +0.305 C ATOM 35 O LIG 1 -4.129 0.427 3.842 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.559 2.037 5.316 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -2.809 2.614 5.556 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 10