REMARK Name = BDB011341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.350 1.396 0.029 0.00 0.00 +0.054 A ATOM 2 N LIG 1 1.533 0.473 -0.643 0.00 0.00 -0.339 N ATOM 3 C LIG 1 0.246 0.710 -0.246 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.117 0.146 -0.478 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -1.943 1.182 0.258 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.125 2.136 0.925 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.440 3.079 1.632 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.223 1.809 0.563 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.528 2.249 0.761 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.340 1.185 0.294 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.056 1.875 1.205 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.443 1.846 1.256 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.107 2.603 2.308 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.213 1.082 0.377 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.438 1.002 0.430 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.430 0.355 -0.670 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.289 -0.540 -1.865 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.092 0.428 -0.691 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -1.313 -1.250 0.123 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -1.756 -2.369 -0.625 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.073 -2.339 -2.096 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -1.954 -3.604 0.030 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -1.692 -3.749 1.390 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -1.931 -5.273 2.150 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -1.238 -2.670 2.130 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -1.054 -1.436 1.503 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 28 ATOM 27 C LIG 1 4.646 0.462 0.482 0.00 0.00 +0.129 A ATOM 28 C LIG 1 3.815 1.457 -0.074 0.00 0.00 +0.040 A ATOM 29 C LIG 1 4.392 2.557 -0.726 0.00 0.00 +0.013 A ATOM 30 C LIG 1 5.777 2.666 -0.844 0.00 0.00 +0.001 A ATOM 31 C LIG 1 6.596 1.678 -0.307 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.035 0.580 0.352 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 33 C LIG 1 4.824 -1.479 1.861 0.00 0.00 +0.277 C ATOM 34 O LIG 1 4.016 -0.582 1.112 0.00 0.00 -0.494 OA ENDBRANCH 27 34 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 2.013 -0.469 -1.654 0.00 0.00 +0.081 C ATOM 36 C LIG 1 1.419 -0.184 -3.034 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.855 -1.931 -1.250 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 5