REMARK Name = BDB008024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.492 -0.497 -0.459 0.00 0.00 +0.195 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.525 -2.212 -0.193 0.00 0.00 +0.131 A ATOM 3 C LIG 1 -1.262 -1.800 -0.644 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -0.768 -2.887 -1.474 0.00 0.00 +0.006 A ATOM 5 C LIG 1 -1.662 -3.947 -1.380 0.00 0.00 +0.049 A ATOM 6 C LIG 1 -1.488 -5.167 -2.046 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -0.354 -5.304 -2.849 0.00 0.00 +0.043 A ATOM 8 C LIG 1 0.567 -4.271 -2.977 0.00 0.00 +0.021 A ATOM 9 CL LIG 1 -0.095 -6.782 -3.695 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 0.371 -3.062 -2.296 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -2.658 -3.542 -0.538 0.00 0.00 -0.349 N ATOM 12 H LIG 1 -3.454 -4.106 -0.273 0.00 0.00 +0.166 HD BRANCH 2 13 ATOM 13 C LIG 1 -3.602 -1.531 0.495 0.00 0.00 +0.356 C ATOM 14 O LIG 1 -3.882 -0.342 0.423 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 O LIG 1 -4.336 -2.452 1.188 0.00 0.00 -0.460 OA BRANCH 15 17 ATOM 16 C LIG 1 -6.681 -1.862 1.082 0.00 0.00 +0.048 C ATOM 17 C LIG 1 -5.436 -1.931 1.947 0.00 0.00 +0.229 C ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 2 13 ENDBRANCH 1 3 BRANCH 1 18 ATOM 18 C LIG 1 0.948 -0.650 0.147 0.00 0.00 +0.238 C ATOM 19 N LIG 1 1.511 0.550 0.562 0.00 0.00 -0.311 N ATOM 20 H LIG 1 0.961 1.390 0.443 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 1.613 -1.684 0.116 0.00 0.00 -0.273 OA BRANCH 19 22 ATOM 22 C LIG 1 2.901 0.675 0.962 0.00 0.00 +0.073 C ATOM 23 C LIG 1 3.082 1.870 1.899 0.00 0.00 +0.022 C ATOM 24 C LIG 1 4.519 1.982 2.410 0.00 0.00 +0.002 C ATOM 25 C LIG 1 5.561 1.445 1.427 0.00 0.00 +0.000 C ATOM 26 C LIG 1 5.098 1.576 -0.016 0.00 0.00 +0.002 C ATOM 27 C LIG 1 3.808 0.794 -0.275 0.00 0.00 +0.022 C ENDBRANCH 19 22 ENDBRANCH 1 18 BRANCH 1 28 ATOM 28 N LIG 1 -1.240 0.580 0.202 0.00 0.00 -0.284 N ATOM 29 C LIG 1 -1.487 0.525 1.559 0.00 0.00 +0.329 C ATOM 30 O LIG 1 -1.102 -0.348 2.324 0.00 0.00 -0.279 OA BRANCH 28 31 ATOM 31 C LIG 1 -1.838 1.628 -0.616 0.00 0.00 +0.143 C BRANCH 31 32 ATOM 32 C LIG 1 -0.829 2.706 -0.942 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -0.508 3.688 0.009 0.00 0.00 +0.006 A ATOM 34 C LIG 1 0.475 4.642 -0.260 0.00 0.00 +0.020 A ATOM 35 C LIG 1 1.144 4.621 -1.482 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 2.367 5.785 -1.807 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 0.833 3.658 -2.439 0.00 0.00 +0.020 A ATOM 38 C LIG 1 -0.152 2.704 -2.171 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 9