REMARK Name = BDB009764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.366 0.129 -0.197 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -1.449 -0.776 0.257 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -2.313 -1.277 -0.941 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -2.653 -0.186 -1.975 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -2.067 1.212 -1.696 0.00 0.00 +0.055 C ATOM 6 C LIG 1 -2.942 1.967 -0.678 0.00 0.00 +0.021 C ATOM 7 C LIG 1 -0.626 1.091 -1.175 0.00 0.00 +0.223 C ATOM 8 O LIG 1 0.245 1.855 -1.588 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.956 -1.990 1.058 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.085 -2.941 0.496 0.00 0.00 +0.007 A ATOM 11 C LIG 1 0.339 -4.045 1.239 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.105 -4.211 2.548 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 0.415 -5.572 3.462 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.968 -3.281 3.122 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.392 -2.175 2.381 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -3.564 -2.042 -0.512 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -3.685 -3.406 -0.828 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -4.809 -4.130 -0.428 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -4.932 -5.800 -0.822 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -5.830 -3.511 0.285 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.726 -2.158 0.603 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.601 -1.429 0.208 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 0.833 0.336 0.680 0.00 0.00 +0.125 C BRANCH 23 24 ATOM 24 C LIG 1 2.192 0.386 -0.031 0.00 0.00 +0.062 A ATOM 25 N LIG 1 3.202 1.044 0.599 0.00 0.00 -0.252 NA ATOM 26 C LIG 1 4.434 1.068 0.030 0.00 0.00 +0.073 A ATOM 27 C LIG 1 4.704 0.392 -1.159 0.00 0.00 +0.026 A ATOM 28 C LIG 1 3.683 -0.316 -1.780 0.00 0.00 +0.004 A ATOM 29 C LIG 1 2.416 -0.327 -1.208 0.00 0.00 +0.025 A BRANCH 26 30 ATOM 30 C LIG 1 5.541 1.853 0.735 0.00 0.00 +0.102 C ATOM 31 C LIG 1 6.525 0.897 1.414 0.00 0.00 +0.048 C ATOM 32 C LIG 1 4.990 2.847 1.767 0.00 0.00 +0.048 C BRANCH 30 33 ATOM 33 O LIG 1 6.277 2.628 -0.227 0.00 0.00 -0.383 OA ATOM 34 H LIG 1 5.612 3.117 -0.746 0.00 0.00 +0.211 HD ENDBRANCH 30 33 ENDBRANCH 26 30 ENDBRANCH 23 24 BRANCH 23 36 ATOM 35 C LIG 1 0.589 2.882 1.256 0.00 0.00 +0.006 C ATOM 36 C LIG 1 0.604 1.441 1.746 0.00 0.00 +0.025 C ENDBRANCH 23 36 ENDBRANCH 1 23 BRANCH 5 37 ATOM 37 C LIG 1 -2.062 1.976 -3.054 0.00 0.00 +0.136 C BRANCH 37 38 ATOM 38 C LIG 1 -1.583 3.408 -3.012 0.00 0.00 +0.306 C ATOM 39 O LIG 1 -1.889 4.266 -2.202 0.00 0.00 -0.251 OA BRANCH 38 40 ATOM 40 O LIG 1 -0.794 3.712 -4.062 0.00 0.00 -0.481 OA ATOM 41 H LIG 1 -0.513 4.633 -3.884 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 5 37 TORSDOF 10