REMARK Name = BDB005670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.470 -0.014 0.242 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -1.003 1.262 0.178 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -2.283 1.053 -0.335 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -3.124 2.128 -0.617 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -2.604 3.382 -0.356 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -1.370 3.598 0.163 0.00 0.00 -0.240 NA ATOM 7 N LIG 1 -2.548 -0.279 -0.493 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 -0.550 2.556 0.459 0.00 0.00 +0.099 A ATOM 9 C LIG 1 -1.472 -0.908 -0.091 0.00 0.00 +0.200 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -1.271 -2.255 -0.048 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -1.416 -2.863 1.296 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -2.832 -3.402 1.594 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -2.568 -4.350 2.758 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -1.270 -5.058 2.367 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -3.386 -4.170 0.515 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -3.412 -3.385 -0.684 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -0.494 -4.075 1.486 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -1.986 -3.016 -1.105 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 -3.395 4.598 -0.629 0.00 0.00 +0.268 A ATOM 20 O LIG 1 -4.638 4.400 -1.137 0.00 0.00 -0.386 OA ATOM 21 C LIG 1 -5.134 5.658 -1.290 0.00 0.00 +0.436 A ATOM 22 O LIG 1 -6.237 5.939 -1.723 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 -4.156 6.511 -0.866 0.00 0.00 -0.208 N ATOM 24 H LIG 1 -4.217 7.520 -0.853 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 -3.053 5.838 -0.446 0.00 0.00 -0.128 NA ENDBRANCH 5 19 BRANCH 8 26 ATOM 26 C LIG 1 0.714 2.905 1.082 0.00 0.00 +0.022 A ATOM 27 C LIG 1 0.984 2.608 2.425 0.00 0.00 +0.033 A ATOM 28 C LIG 1 2.212 2.958 2.979 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 2.569 2.580 4.614 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 3.139 3.605 2.178 0.00 0.00 +0.130 A ATOM 31 N LIG 1 2.916 3.925 0.881 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 1.704 3.587 0.375 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 1 33 ATOM 33 C LIG 1 0.910 -0.396 0.490 0.00 0.00 +0.128 C BRANCH 33 38 ATOM 34 C LIG 1 5.378 -0.424 -2.754 0.00 0.00 +0.007 C ATOM 35 C LIG 1 4.217 0.245 -2.017 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.132 -0.228 -0.554 0.00 0.00 +0.003 C ATOM 37 C LIG 1 3.102 -1.338 -0.367 0.00 0.00 +0.005 C ATOM 38 C LIG 1 1.679 -0.883 -0.757 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.696 0.183 -1.871 0.00 0.00 +0.005 C ATOM 40 C LIG 1 2.904 0.021 -2.785 0.00 0.00 +0.003 C ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 5