REMARK Name = BDB064461 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.477 -1.900 0.515 0.00 0.00 +0.279 C ATOM 2 C LIG 1 -2.208 -2.388 1.787 0.00 0.00 +0.260 C ATOM 3 O LIG 1 -1.667 -3.060 2.670 0.00 0.00 -0.271 OA ATOM 4 N LIG 1 -3.548 -2.105 1.895 0.00 0.00 -0.282 N ATOM 5 H LIG 1 -4.010 -2.645 2.617 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -4.320 -1.339 1.008 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.818 -0.293 0.214 0.00 0.00 +0.022 A ATOM 8 C LIG 1 -4.665 0.342 -0.710 0.00 0.00 +0.012 A ATOM 9 C LIG 1 -6.010 -0.014 -0.801 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -6.524 -0.998 0.038 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.439 0.255 0.401 0.00 0.00 +0.077 C ATOM 12 C LIG 1 -5.685 -1.652 0.942 0.00 0.00 +0.024 A ATOM 13 N LIG 1 -1.371 -0.451 0.558 0.00 0.00 -0.251 NA ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -2.258 1.740 0.427 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -1.151 2.296 -0.225 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -0.951 3.677 -0.209 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -1.852 4.502 0.464 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.949 3.950 1.127 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.152 2.569 1.115 0.00 0.00 +0.010 A ENDBRANCH 11 14 BRANCH 1 22 ATOM 20 O LIG 1 -0.014 -2.938 -1.716 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 0.519 -2.778 -0.626 0.00 0.00 +0.246 C ATOM 22 N LIG 1 -0.125 -2.391 0.518 0.00 0.00 -0.282 N ATOM 23 H LIG 1 0.363 -2.347 1.402 0.00 0.00 +0.151 HD BRANCH 21 24 ATOM 24 C LIG 1 1.968 -3.030 -0.459 0.00 0.00 +0.041 A ATOM 25 C LIG 1 2.855 -2.027 -0.014 0.00 0.00 -0.021 A ATOM 26 C LIG 1 4.199 -2.387 0.193 0.00 0.00 +0.005 A ATOM 27 C LIG 1 4.652 -3.679 -0.089 0.00 0.00 +0.000 A ATOM 28 C LIG 1 3.770 -4.641 -0.575 0.00 0.00 +0.001 A ATOM 29 C LIG 1 2.427 -4.319 -0.761 0.00 0.00 +0.013 A BRANCH 25 30 ATOM 30 C LIG 1 2.380 -0.612 0.272 0.00 0.00 +0.120 C BRANCH 30 31 ATOM 31 N LIG 1 3.384 0.436 -0.007 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 3.609 0.624 -1.452 0.00 0.00 +0.085 C ATOM 33 C LIG 1 2.928 1.864 -2.030 0.00 0.00 +0.015 C ATOM 34 C LIG 1 3.390 3.137 -1.325 0.00 0.00 +0.002 C ATOM 35 C LIG 1 3.757 2.891 0.138 0.00 0.00 +0.015 C ATOM 36 C LIG 1 3.022 1.676 0.697 0.00 0.00 +0.085 C ENDBRANCH 30 31 ENDBRANCH 25 30 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 5