REMARK Name = BDB011348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.927 0.343 0.487 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.910 -0.283 -0.239 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.253 0.371 0.057 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.693 0.259 -0.306 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.242 1.424 0.486 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.220 2.083 1.232 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.291 3.045 1.979 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.003 1.389 0.924 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.359 1.396 1.208 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.582 1.825 0.459 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.108 2.716 1.323 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -5.445 3.092 1.306 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -5.902 4.048 2.305 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.364 2.565 0.398 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.557 2.858 0.382 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -5.786 1.600 -0.587 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.822 0.936 -1.793 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.486 1.277 -0.540 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.296 -1.087 0.097 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -2.773 -2.026 -0.850 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -2.789 -1.780 -2.337 0.00 0.00 +0.044 C ATOM 22 C LIG 1 -3.324 -3.242 -0.397 0.00 0.00 +0.023 A ATOM 23 C LIG 1 -3.380 -3.543 0.962 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -4.046 -5.041 1.480 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.899 -2.639 1.898 0.00 0.00 +0.020 A ATOM 26 C LIG 1 -2.364 -1.424 1.469 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 5.968 -0.748 0.587 0.00 0.00 +0.218 A ATOM 28 N LIG 1 5.596 0.153 -0.330 0.00 0.00 -0.179 NA ATOM 29 C LIG 1 4.292 0.496 -0.356 0.00 0.00 +0.228 A ATOM 30 C LIG 1 3.337 -0.037 0.491 0.00 0.00 +0.078 A ATOM 31 C LIG 1 3.839 -0.928 1.412 0.00 0.00 +0.129 A ATOM 32 N LIG 1 5.134 -1.302 1.475 0.00 0.00 -0.222 NA BRANCH 27 34 ATOM 33 C LIG 1 8.261 -0.142 0.374 0.00 0.00 +0.128 C ATOM 34 N LIG 1 7.288 -1.169 0.668 0.00 0.00 -0.316 N ATOM 35 H LIG 1 7.382 -1.606 1.578 0.00 0.00 +0.149 HD ENDBRANCH 27 34 BRANCH 29 36 ATOM 36 O LIG 1 3.866 1.422 -1.295 0.00 0.00 -0.479 OA ATOM 37 C LIG 1 4.915 1.923 -2.116 0.00 0.00 +0.279 C ENDBRANCH 29 36 ENDBRANCH 1 30 BRANCH 2 38 ATOM 38 C LIG 1 1.006 -1.440 -1.130 0.00 0.00 +0.081 C ATOM 39 C LIG 1 1.985 -1.262 -2.290 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.243 -2.746 -0.374 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 6