REMARK Name = BDB015143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.268 -1.218 1.184 0.00 0.00 +0.166 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.780 -2.567 1.176 0.00 0.00 -0.387 OA ATOM 3 H LIG 1 0.121 -2.528 0.804 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.254 -0.353 1.954 0.00 0.00 +0.261 C BRANCH 4 5 ATOM 5 O LIG 1 0.989 -0.364 1.241 0.00 0.00 -0.489 OA BRANCH 5 8 ATOM 6 C LIG 1 4.293 1.168 1.343 0.00 0.00 -0.014 A ATOM 7 C LIG 1 3.159 0.432 0.959 0.00 0.00 +0.054 A ATOM 8 C LIG 1 2.004 0.399 1.749 0.00 0.00 +0.121 A ATOM 9 C LIG 1 1.976 1.108 2.948 0.00 0.00 +0.045 A ATOM 10 C LIG 1 3.091 1.846 3.348 0.00 0.00 +0.004 A ATOM 11 C LIG 1 4.238 1.875 2.553 0.00 0.00 +0.009 A BRANCH 6 18 ATOM 12 C LIG 1 9.792 0.046 1.580 0.00 0.00 +0.150 C ATOM 13 N LIG 1 9.190 0.535 0.366 0.00 0.00 -0.333 N ATOM 14 C LIG 1 7.865 0.845 0.188 0.00 0.00 +0.069 A ATOM 15 C LIG 1 7.793 1.258 -1.139 0.00 0.00 +0.089 A ATOM 16 C LIG 1 6.557 1.649 -1.669 0.00 0.00 +0.030 A ATOM 17 C LIG 1 5.425 1.611 -0.841 0.00 0.00 +0.011 A ATOM 18 C LIG 1 5.500 1.195 0.501 0.00 0.00 -0.016 A ATOM 19 N LIG 1 9.027 1.206 -1.740 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 6.746 0.803 1.032 0.00 0.00 +0.036 A ATOM 21 C LIG 1 9.844 0.768 -0.809 0.00 0.00 +0.200 A ENDBRANCH 6 18 ENDBRANCH 5 8 ENDBRANCH 4 5 ENDBRANCH 1 4 BRANCH 1 22 ATOM 22 C LIG 1 -1.469 -0.688 -0.261 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -2.648 -1.153 -1.008 0.00 0.00 -0.290 NA ATOM 24 C LIG 1 -3.993 -0.796 -0.488 0.00 0.00 +0.125 C ATOM 25 C LIG 1 -4.620 -1.942 0.311 0.00 0.00 -0.024 A ATOM 26 C LIG 1 -4.565 -3.220 -0.286 0.00 0.00 -0.041 A ATOM 27 C LIG 1 -5.173 -4.321 0.323 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -5.822 -4.164 1.545 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.866 -2.911 2.155 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.827 -3.337 -1.595 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -5.273 -1.804 1.542 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -2.520 -2.531 -1.512 0.00 0.00 +0.090 C BRANCH 24 33 ATOM 33 C LIG 1 -4.128 0.608 0.174 0.00 0.00 +0.252 C BRANCH 33 34 ATOM 34 O LIG 1 -3.666 1.671 -0.666 0.00 0.00 -0.490 OA BRANCH 34 35 ATOM 35 C LIG 1 -4.513 2.198 -1.599 0.00 0.00 +0.121 A ATOM 36 C LIG 1 -5.835 1.817 -1.835 0.00 0.00 +0.045 A ATOM 37 C LIG 1 -6.584 2.454 -2.831 0.00 0.00 +0.004 A ATOM 38 C LIG 1 -6.017 3.473 -3.595 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -4.699 3.857 -3.365 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -3.954 3.220 -2.372 0.00 0.00 +0.045 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 10