REMARK Name = BDB016764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.178 2.134 -0.701 0.00 0.00 +0.093 A ATOM 2 C LIG 1 3.094 1.220 -1.313 0.00 0.00 +0.027 A ATOM 3 C LIG 1 4.354 1.717 -1.002 0.00 0.00 +0.067 A ATOM 4 C LIG 1 5.545 1.104 -1.407 0.00 0.00 +0.031 A ATOM 5 C LIG 1 5.476 -0.083 -2.160 0.00 0.00 -0.041 A ATOM 6 C LIG 1 4.208 -0.572 -2.511 0.00 0.00 +0.005 A ATOM 7 N LIG 1 4.124 2.852 -0.278 0.00 0.00 -0.276 N ATOM 8 H LIG 1 4.814 3.482 0.115 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 3.021 0.057 -2.102 0.00 0.00 +0.012 A ATOM 10 N LIG 1 2.828 3.139 -0.095 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.740 -0.777 -2.612 0.00 0.00 +0.040 C ATOM 12 C LIG 1 7.728 -1.376 -1.631 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.600 -1.366 -0.134 0.00 0.00 -0.011 A ATOM 14 C LIG 1 8.886 -1.186 0.403 0.00 0.00 +0.038 A ATOM 15 C LIG 1 9.146 -1.128 1.756 0.00 0.00 +0.023 A ATOM 16 C LIG 1 8.058 -1.262 2.619 0.00 0.00 +0.002 A ATOM 17 C LIG 1 6.761 -1.452 2.113 0.00 0.00 +0.000 A ATOM 18 N LIG 1 9.816 -1.092 -0.636 0.00 0.00 -0.284 N ATOM 19 H LIG 1 10.811 -0.978 -0.524 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.528 -1.510 0.733 0.00 0.00 +0.006 A ATOM 21 C LIG 1 9.211 -1.210 -1.874 0.00 0.00 +0.228 C ATOM 22 O LIG 1 9.749 -1.185 -2.968 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 6.889 -2.280 -2.488 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -0.017 0.977 -0.742 0.00 0.00 +0.010 C ATOM 25 C LIG 1 0.746 2.082 -0.706 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 -4.310 0.925 -0.702 0.00 0.00 -0.033 A ATOM 27 C LIG 1 -3.610 1.833 0.105 0.00 0.00 +0.005 A ATOM 28 C LIG 1 -2.213 1.864 0.098 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -1.486 0.997 -0.727 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -2.184 0.081 -1.523 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.582 0.049 -1.516 0.00 0.00 +0.005 A BRANCH 26 32 ATOM 32 C LIG 1 -5.825 0.903 -0.698 0.00 0.00 +0.120 C BRANCH 32 35 ATOM 33 C LIG 1 -6.510 -1.906 0.388 0.00 0.00 +0.024 C ATOM 34 C LIG 1 -6.084 -0.677 1.203 0.00 0.00 +0.054 C ATOM 35 N LIG 1 -6.407 0.638 0.624 0.00 0.00 -0.293 NA ATOM 36 C LIG 1 -7.795 1.111 0.756 0.00 0.00 +0.054 C ATOM 37 C LIG 1 -8.810 0.512 -0.226 0.00 0.00 +0.024 C ATOM 38 C LIG 1 -8.291 0.987 2.207 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -8.064 -0.402 2.788 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -6.595 -0.780 2.653 0.00 0.00 +0.019 C ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 5