REMARK Name = BDB006388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.549 0.123 -2.710 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.844 -0.614 -1.623 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.246 -0.702 -0.254 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.306 -1.489 0.415 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.423 -1.777 1.787 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.511 -1.247 2.486 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.456 -0.445 1.845 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.647 -1.865 -0.518 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.340 -0.180 0.472 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.326 -1.346 -1.759 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.159 -1.573 -2.977 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.589 0.088 2.650 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.099 1.304 2.253 0.00 0.00 -0.307 N ATOM 14 H LIG 1 3.680 1.806 1.485 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.002 -0.537 3.620 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.242 1.905 2.900 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 6.420 1.928 1.959 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.142 0.750 1.709 0.00 0.00 +0.017 A ATOM 19 C LIG 1 8.230 0.743 0.822 0.00 0.00 +0.055 A ATOM 20 C LIG 1 8.582 1.935 0.172 0.00 0.00 +0.012 A ATOM 21 C LIG 1 7.867 3.109 0.410 0.00 0.00 +0.001 A ATOM 22 C LIG 1 6.790 3.106 1.298 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 8.981 -0.539 0.558 0.00 0.00 +0.417 C ATOM 24 F LIG 1 9.302 -1.210 1.699 0.00 0.00 -0.166 F ATOM 25 F LIG 1 10.159 -0.351 -0.104 0.00 0.00 -0.166 F ATOM 26 F LIG 1 8.265 -1.413 -0.203 0.00 0.00 -0.166 F ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -1.795 -2.727 -0.233 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.098 -1.964 -0.172 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.191 -2.385 -0.941 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.405 -1.692 -0.895 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.561 -0.562 -0.080 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -4.473 -0.163 0.711 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -3.259 -0.855 0.668 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.826 0.192 -0.056 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -7.397 0.789 -1.201 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -8.634 1.451 -1.126 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -9.306 1.552 0.090 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.751 0.986 1.233 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.529 0.311 1.160 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -6.762 0.755 -2.540 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -7.370 0.425 -3.545 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -5.492 1.206 -2.554 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -5.132 1.435 -1.675 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9