REMARK Name = BDB064998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.728 -2.312 -1.880 0.00 0.00 +0.061 C ATOM 2 C LIG 1 -0.889 -1.428 -0.994 0.00 0.00 +0.014 C ATOM 3 N LIG 1 0.431 -1.244 -1.389 0.00 0.00 -0.321 N ATOM 4 H LIG 1 0.755 -1.799 -2.180 0.00 0.00 +0.152 HD ATOM 5 C LIG 1 1.401 -0.683 -0.572 0.00 0.00 +0.016 C ATOM 6 C LIG 1 2.836 -0.801 -1.030 0.00 0.00 +0.059 C ATOM 7 C LIG 1 3.836 -0.675 0.131 0.00 0.00 +0.032 C ATOM 8 C LIG 1 3.506 0.543 0.994 0.00 0.00 +0.088 C ATOM 9 C LIG 1 2.089 0.443 1.507 0.00 0.00 +0.162 C ATOM 10 O LIG 1 1.788 0.833 2.633 0.00 0.00 -0.292 OA ATOM 11 C LIG 1 1.047 -0.103 0.594 0.00 0.00 +0.024 C ATOM 12 C LIG 1 -0.408 -0.013 1.034 0.00 0.00 +0.092 C ATOM 13 C LIG 1 -1.323 -0.855 0.151 0.00 0.00 +0.043 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 5.270 -0.659 -0.368 0.00 0.00 -0.044 A ATOM 15 C LIG 1 6.123 -1.732 -0.067 0.00 0.00 +0.004 A ATOM 16 C LIG 1 7.444 -1.742 -0.520 0.00 0.00 +0.000 A ATOM 17 C LIG 1 7.929 -0.681 -1.280 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.095 0.390 -1.589 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.774 0.402 -1.137 0.00 0.00 +0.004 A ENDBRANCH 7 14 BRANCH 12 20 ATOM 20 C LIG 1 -0.894 1.433 1.060 0.00 0.00 -0.017 A ATOM 21 C LIG 1 -1.371 1.996 2.241 0.00 0.00 +0.115 A ATOM 22 N LIG 1 -1.859 3.255 2.338 0.00 0.00 -0.263 NA ATOM 23 C LIG 1 -1.860 3.998 1.212 0.00 0.00 +0.111 A ATOM 24 C LIG 1 -1.401 3.541 -0.011 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.913 2.240 -0.087 0.00 0.00 +0.007 A ENDBRANCH 12 20 BRANCH 13 26 ATOM 26 C LIG 1 -2.702 -1.040 0.666 0.00 0.00 +0.247 C ATOM 27 N LIG 1 -3.633 -0.358 -0.083 0.00 0.00 -0.279 N ATOM 28 H LIG 1 -3.288 0.208 -0.852 0.00 0.00 +0.155 HD ATOM 29 O LIG 1 -2.890 -1.717 1.667 0.00 0.00 -0.270 OA BRANCH 27 30 ATOM 30 C LIG 1 -5.023 -0.282 0.136 0.00 0.00 +0.069 A ATOM 31 C LIG 1 -5.765 0.522 -0.744 0.00 0.00 +0.147 A ATOM 32 F LIG 1 -5.132 1.166 -1.738 0.00 0.00 -0.203 F ATOM 33 C LIG 1 -7.141 0.668 -0.619 0.00 0.00 +0.078 A ATOM 34 C LIG 1 -7.788 -0.004 0.407 0.00 0.00 +0.126 A ATOM 35 F LIG 1 -9.114 0.123 0.543 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -7.082 -0.809 1.295 0.00 0.00 +0.040 A ATOM 37 C LIG 1 -5.696 -0.950 1.161 0.00 0.00 +0.029 A ENDBRANCH 27 30 ENDBRANCH 13 26 TORSDOF 4