REMARK Name = BDB051683 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.870 1.621 -2.058 0.00 0.00 +0.020 A ATOM 2 N LIG 1 1.404 1.694 -0.755 0.00 0.00 -0.339 N ATOM 3 C LIG 1 0.070 1.310 -0.708 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.293 0.925 -1.998 0.00 0.00 +0.002 A ATOM 5 C LIG 1 -1.607 0.468 -2.243 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -2.535 0.409 -1.200 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -2.148 0.813 0.081 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.850 1.263 0.351 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.840 1.119 -2.829 0.00 0.00 +0.031 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -3.872 -0.009 -1.364 0.00 0.00 -0.285 N ATOM 11 H LIG 1 -4.449 0.043 -0.534 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.448 -0.590 -2.480 0.00 0.00 +0.225 C ATOM 13 O LIG 1 -3.858 -0.890 -3.517 0.00 0.00 -0.275 OA BRANCH 12 14 ATOM 14 C LIG 1 -5.974 -0.774 -2.393 0.00 0.00 +0.105 C BRANCH 14 15 ATOM 15 C LIG 1 -6.439 -1.307 -1.040 0.00 0.00 -0.036 A ATOM 16 C LIG 1 -6.270 -2.675 -0.761 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -6.662 -3.209 0.467 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.219 -2.386 1.441 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -7.381 -1.027 1.188 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.992 -0.490 -0.042 0.00 0.00 +0.004 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 -6.638 0.527 -2.885 0.00 0.00 +0.014 C ATOM 22 C LIG 1 -8.122 0.365 -3.188 0.00 0.00 +0.005 C ENDBRANCH 14 21 ENDBRANCH 12 14 ENDBRANCH 6 10 BRANCH 1 23 ATOM 23 C LIG 1 3.247 2.012 -2.503 0.00 0.00 +0.053 C BRANCH 23 25 ATOM 24 C LIG 1 2.924 4.547 -2.499 0.00 0.00 +0.004 C ATOM 25 C LIG 1 3.253 3.308 -3.322 0.00 0.00 +0.003 C ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 2 26 ATOM 26 C LIG 1 2.166 2.169 0.401 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.079 1.116 0.984 0.00 0.00 -0.028 A ATOM 28 C LIG 1 4.428 1.417 1.220 0.00 0.00 +0.006 A ATOM 29 C LIG 1 5.283 0.470 1.794 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.805 -0.794 2.163 0.00 0.00 -0.017 A ATOM 31 C LIG 1 3.455 -1.091 1.935 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.600 -0.145 1.363 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 5.703 -1.794 2.756 0.00 0.00 -0.004 A ATOM 34 C LIG 1 5.779 -2.052 4.140 0.00 0.00 +0.067 A ATOM 35 C LIG 1 6.633 -3.062 4.622 0.00 0.00 +0.015 A ATOM 36 C LIG 1 7.418 -3.809 3.745 0.00 0.00 +0.001 A ATOM 37 C LIG 1 7.360 -3.555 2.381 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.511 -2.560 1.893 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 5.001 -1.251 5.122 0.00 0.00 +0.337 C ATOM 40 O LIG 1 4.658 -0.088 5.031 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 4.676 -1.978 6.210 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 4.163 -1.346 6.756 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11