REMARK Name = BDB005925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.097 0.559 0.746 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.358 1.861 0.336 0.00 0.00 +0.097 A ATOM 3 C LIG 1 -1.747 1.964 0.440 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.408 3.154 0.140 0.00 0.00 +0.061 A ATOM 5 C LIG 1 -1.595 4.200 -0.240 0.00 0.00 +0.112 A ATOM 6 N LIG 1 -0.244 4.141 -0.335 0.00 0.00 -0.241 NA ATOM 7 N LIG 1 -2.302 0.798 0.874 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 0.392 2.969 -0.075 0.00 0.00 +0.103 A ATOM 9 C LIG 1 -1.315 -0.051 0.997 0.00 0.00 +0.200 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 1.837 2.972 -0.226 0.00 0.00 +0.068 A ATOM 11 C LIG 1 2.466 2.503 -1.501 0.00 0.00 +0.258 A ATOM 12 O LIG 1 1.810 2.060 -2.437 0.00 0.00 -0.267 OA ATOM 13 N LIG 1 3.841 2.581 -1.557 0.00 0.00 -0.327 N ATOM 14 H LIG 1 4.264 2.265 -2.423 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 4.624 3.076 -0.543 0.00 0.00 +0.106 A ATOM 16 C LIG 1 4.063 3.520 0.590 0.00 0.00 +0.058 A ATOM 17 CL LIG 1 5.016 4.140 1.878 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 2.626 3.478 0.743 0.00 0.00 +0.037 A ENDBRANCH 8 10 BRANCH 5 19 ATOM 19 C LIG 1 -2.186 5.507 -0.573 0.00 0.00 +0.201 A ATOM 20 N LIG 1 -1.383 6.499 -0.982 0.00 0.00 -0.270 N ATOM 21 H LIG 1 -0.386 6.455 -1.103 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -2.166 7.560 -1.216 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -1.795 8.655 -1.605 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -3.466 7.208 -0.941 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.433 5.838 -0.519 0.00 0.00 -0.053 NA ENDBRANCH 5 19 BRANCH 9 26 ATOM 26 N LIG 1 -1.404 -1.342 1.414 0.00 0.00 -0.289 N ATOM 27 C LIG 1 -1.768 -2.360 0.372 0.00 0.00 +0.132 C ATOM 28 C LIG 1 -1.636 -3.782 0.995 0.00 0.00 +0.187 C ATOM 29 O LIG 1 -2.362 -3.947 2.228 0.00 0.00 -0.376 OA ATOM 30 C LIG 1 -1.982 -2.947 3.184 0.00 0.00 +0.179 C ATOM 31 C LIG 1 -2.202 -1.527 2.646 0.00 0.00 +0.136 C BRANCH 27 32 ATOM 32 C LIG 1 -3.101 -2.111 -0.338 0.00 0.00 -0.025 A ATOM 33 C LIG 1 -3.116 -1.319 -1.503 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.303 -1.074 -2.196 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.500 -1.618 -1.740 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.509 -2.402 -0.590 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.321 -2.646 0.106 0.00 0.00 +0.005 A ENDBRANCH 27 32 ENDBRANCH 9 26 BRANCH 1 38 ATOM 38 C LIG 1 1.190 -0.004 1.122 0.00 0.00 +0.128 C BRANCH 38 43 ATOM 39 C LIG 1 4.006 -4.074 -2.024 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.567 -2.779 -1.343 0.00 0.00 -0.014 C ATOM 41 C LIG 1 3.550 -2.947 0.181 0.00 0.00 +0.003 C ATOM 42 C LIG 1 3.050 -1.686 0.885 0.00 0.00 +0.005 C ATOM 43 C LIG 1 1.665 -1.259 0.368 0.00 0.00 +0.009 C ATOM 44 C LIG 1 1.712 -1.068 -1.152 0.00 0.00 +0.005 C ATOM 45 C LIG 1 2.193 -2.334 -1.860 0.00 0.00 +0.003 C ENDBRANCH 38 43 ENDBRANCH 1 38 TORSDOF 6