REMARK Name = BDB015109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.433 2.705 0.344 0.00 0.00 +0.166 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.369 4.045 0.869 0.00 0.00 -0.387 OA ATOM 3 H LIG 1 -0.483 4.131 1.274 0.00 0.00 +0.210 HD ENDBRANCH 1 2 BRANCH 1 4 ATOM 4 C LIG 1 -0.156 2.429 -0.464 0.00 0.00 +0.261 C BRANCH 4 5 ATOM 5 O LIG 1 0.981 2.608 0.407 0.00 0.00 -0.489 OA BRANCH 5 8 ATOM 6 C LIG 1 4.197 1.472 -0.965 0.00 0.00 -0.014 A ATOM 7 C LIG 1 2.966 1.488 -0.278 0.00 0.00 +0.054 A ATOM 8 C LIG 1 2.143 2.615 -0.319 0.00 0.00 +0.121 A ATOM 9 C LIG 1 2.533 3.760 -1.012 0.00 0.00 +0.045 A ATOM 10 C LIG 1 3.744 3.761 -1.703 0.00 0.00 +0.004 A ATOM 11 C LIG 1 4.568 2.628 -1.679 0.00 0.00 +0.009 A BRANCH 6 18 ATOM 12 C LIG 1 6.624 -2.034 2.700 0.00 0.00 +0.150 C ATOM 13 N LIG 1 6.824 -2.193 1.283 0.00 0.00 -0.333 N ATOM 14 C LIG 1 6.286 -1.408 0.294 0.00 0.00 +0.069 A ATOM 15 C LIG 1 6.788 -1.957 -0.882 0.00 0.00 +0.089 A ATOM 16 C LIG 1 6.448 -1.378 -2.110 0.00 0.00 +0.030 A ATOM 17 C LIG 1 5.598 -0.264 -2.118 0.00 0.00 +0.011 A ATOM 18 C LIG 1 5.081 0.290 -0.926 0.00 0.00 -0.016 A ATOM 19 N LIG 1 7.596 -3.034 -0.616 0.00 0.00 -0.236 NA ATOM 20 C LIG 1 5.434 -0.292 0.309 0.00 0.00 +0.036 A ATOM 21 C LIG 1 7.603 -3.146 0.692 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 -1.638 1.724 1.520 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -1.788 0.308 1.155 0.00 0.00 -0.292 NA ATOM 24 C LIG 1 -2.942 -0.008 0.261 0.00 0.00 +0.091 C ATOM 25 C LIG 1 -2.912 -1.492 -0.129 0.00 0.00 -0.027 A ATOM 26 C LIG 1 -2.348 -2.453 0.733 0.00 0.00 -0.041 A ATOM 27 C LIG 1 -2.381 -3.810 0.387 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.972 -4.219 -0.808 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -3.514 -3.275 -1.676 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -1.628 -2.030 1.988 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -3.478 -1.920 -1.342 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -1.814 -0.548 2.351 0.00 0.00 +0.090 C BRANCH 24 33 ATOM 33 C LIG 1 -4.345 0.372 0.845 0.00 0.00 +0.058 C BRANCH 33 34 ATOM 34 C LIG 1 -5.443 0.518 -0.190 0.00 0.00 -0.046 A ATOM 35 C LIG 1 -6.387 -0.501 -0.378 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -7.387 -0.371 -1.346 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.458 0.781 -2.126 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.532 1.806 -1.939 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.528 1.677 -0.975 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 24 33 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 9