REMARK Name = BDB006536 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.603 -1.720 2.625 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.935 -1.561 1.303 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.374 -0.736 0.220 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.455 -0.877 -0.821 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.596 -0.179 -2.034 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.697 0.669 -2.186 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.640 0.817 -1.169 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.518 -1.762 -0.387 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.479 0.127 0.043 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.230 -2.193 0.895 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.091 -3.157 1.641 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.785 1.740 -1.401 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.936 1.480 -0.699 0.00 0.00 -0.303 N ATOM 14 H LIG 1 5.041 0.645 -0.134 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.687 2.662 -2.204 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.139 2.288 -0.834 0.00 0.00 +0.119 C ATOM 17 C LIG 1 6.024 3.564 -0.001 0.00 0.00 +0.034 C BRANCH 16 18 ATOM 18 C LIG 1 7.356 1.482 -0.398 0.00 0.00 +0.063 A ATOM 19 N LIG 1 7.158 0.479 0.505 0.00 0.00 -0.258 NA ATOM 20 C LIG 1 8.236 -0.231 0.902 0.00 0.00 +0.112 A ATOM 21 C LIG 1 9.518 0.004 0.446 0.00 0.00 +0.040 A ATOM 22 C LIG 1 9.696 1.030 -0.470 0.00 0.00 +0.044 A ATOM 23 CL LIG 1 11.271 1.373 -1.071 0.00 0.00 -0.083 Cl ATOM 24 C LIG 1 8.614 1.786 -0.905 0.00 0.00 +0.045 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 25 ATOM 25 C LIG 1 -1.659 -2.203 -1.192 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 -2.960 -1.556 -0.778 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -4.096 -2.349 -0.566 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -5.317 -1.769 -0.207 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.442 -0.379 -0.065 0.00 0.00 -0.017 A ATOM 30 C LIG 1 -4.304 0.411 -0.284 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -3.082 -0.167 -0.642 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 -6.730 0.237 0.301 0.00 0.00 -0.004 A ATOM 33 C LIG 1 -7.910 0.082 -0.457 0.00 0.00 +0.067 A ATOM 34 C LIG 1 -9.122 0.647 -0.028 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -9.171 1.399 1.144 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.014 1.581 1.895 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.810 1.004 1.480 0.00 0.00 +0.009 A BRANCH 33 38 ATOM 38 C LIG 1 -7.965 -0.680 -1.726 0.00 0.00 +0.337 C ATOM 39 O LIG 1 -8.792 -1.550 -1.936 0.00 0.00 -0.245 OA BRANCH 38 40 ATOM 40 O LIG 1 -7.074 -0.257 -2.646 0.00 0.00 -0.477 OA ATOM 41 H LIG 1 -6.477 0.450 -2.334 0.00 0.00 +0.295 HD ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 8 25 TORSDOF 8