REMARK Name = BDB058736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.713 -0.595 -1.122 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.076 -1.224 -0.869 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.452 -1.841 0.382 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -4.738 -2.354 0.234 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -5.414 -3.034 1.255 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.750 -3.189 2.474 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.467 -2.687 2.666 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -5.539 -4.016 3.763 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -5.138 -2.059 -1.040 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -6.034 -2.305 -1.444 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.809 -2.012 1.629 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -4.185 -1.325 -1.712 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -4.424 -0.813 -3.033 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -3.741 -0.039 -3.679 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -5.591 -1.278 -3.526 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -5.624 -0.875 -4.421 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -2.662 1.688 -0.906 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.349 1.217 -0.329 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -1.729 0.898 -1.562 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -0.907 1.355 -2.355 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.997 3.606 -0.222 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -2.881 3.119 -1.166 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -1.615 3.938 -0.870 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -3.336 3.349 -2.615 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -0.864 -1.495 -1.924 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -1.028 -1.579 -3.294 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -0.663 -2.511 -4.002 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.193 -2.610 -1.261 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 0.774 -2.184 -0.179 0.00 0.00 -0.030 A ATOM 30 C LIG 1 1.677 -1.133 -0.390 0.00 0.00 +0.009 A ATOM 31 C LIG 1 2.577 -0.748 0.611 0.00 0.00 +0.046 A ATOM 32 C LIG 1 2.598 -1.419 1.832 0.00 0.00 +0.121 A ATOM 33 C LIG 1 1.718 -2.485 2.035 0.00 0.00 +0.046 A ATOM 34 C LIG 1 0.818 -2.872 1.040 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 3.419 -1.154 2.891 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 4.322 -0.049 2.802 0.00 0.00 +0.233 C BRANCH 36 37 ATOM 37 C LIG 1 5.638 -0.473 2.149 0.00 0.00 +0.076 C BRANCH 37 38 ATOM 38 C LIG 1 6.616 0.671 2.064 0.00 0.00 -0.044 A ATOM 39 C LIG 1 6.644 1.498 0.933 0.00 0.00 +0.004 A ATOM 40 C LIG 1 7.534 2.571 0.865 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.401 2.828 1.926 0.00 0.00 +0.000 A ATOM 42 C LIG 1 8.378 2.013 3.056 0.00 0.00 +0.000 A ATOM 43 C LIG 1 7.488 0.940 3.127 0.00 0.00 +0.004 A ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 12