REMARK Name = BDB010163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.792 -1.448 0.219 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.480 -1.497 -0.245 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.276 -2.641 -0.065 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.518 -2.511 -0.604 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.577 -1.297 -1.105 0.00 0.00 +0.202 A ATOM 6 N LIG 1 -0.164 -3.751 0.544 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.436 -3.640 0.949 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.358 -0.654 -0.953 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.247 -2.566 0.812 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.651 -0.767 -1.758 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.271 0.515 -1.349 0.00 0.00 +0.106 C ATOM 12 C LIG 1 4.533 0.789 -2.192 0.00 0.00 +0.027 C ATOM 13 C LIG 1 5.568 -0.331 -2.092 0.00 0.00 +0.004 C ATOM 14 C LIG 1 4.933 -1.718 -2.046 0.00 0.00 +0.019 C ATOM 15 C LIG 1 3.486 -1.710 -2.524 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 3.568 0.684 0.141 0.00 0.00 -0.027 A ATOM 17 C LIG 1 3.738 -0.384 1.033 0.00 0.00 +0.005 A ATOM 18 C LIG 1 4.015 -0.160 2.385 0.00 0.00 +0.000 A ATOM 19 C LIG 1 4.140 1.139 2.869 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.989 2.216 2.002 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.709 1.991 0.652 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 1 22 ATOM 22 N LIG 1 -2.602 -0.333 0.082 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.079 0.531 0.168 0.00 0.00 +0.148 HD BRANCH 22 25 ATOM 24 C LIG 1 -3.809 -0.246 2.252 0.00 0.00 +0.028 C ATOM 25 C LIG 1 -3.917 -0.238 0.729 0.00 0.00 +0.072 C BRANCH 25 26 ATOM 26 C LIG 1 -4.926 -1.275 0.235 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -6.429 -0.932 0.445 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.698 -1.602 -0.917 0.00 0.00 +0.001 C ATOM 29 C LIG 1 -5.240 -1.267 -1.288 0.00 0.00 +0.005 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 1 22 BRANCH 7 30 ATOM 30 C LIG 1 -2.051 -4.828 1.640 0.00 0.00 +0.375 C ATOM 31 O LIG 1 -3.184 -4.908 2.088 0.00 0.00 -0.242 OA BRANCH 30 32 ATOM 32 O LIG 1 -1.213 -5.886 1.747 0.00 0.00 -0.475 OA ATOM 33 H LIG 1 -1.745 -6.566 2.206 0.00 0.00 +0.296 HD ENDBRANCH 30 32 ENDBRANCH 7 30 BRANCH 8 34 ATOM 34 C LIG 1 -0.068 0.551 -1.648 0.00 0.00 +0.160 C BRANCH 34 35 ATOM 35 C LIG 1 -0.129 1.804 -0.796 0.00 0.00 -0.028 A ATOM 36 C LIG 1 -0.589 2.985 -1.400 0.00 0.00 +0.006 A ATOM 37 C LIG 1 -0.679 4.177 -0.676 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.317 4.218 0.677 0.00 0.00 +0.055 A ATOM 39 C LIG 1 0.147 3.044 1.283 0.00 0.00 +0.013 A ATOM 40 C LIG 1 0.237 1.852 0.557 0.00 0.00 +0.006 A BRANCH 38 41 ATOM 41 C LIG 1 -0.381 5.507 1.459 0.00 0.00 +0.417 C ATOM 42 F LIG 1 -0.756 5.324 2.756 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.264 6.406 0.941 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.821 6.144 1.502 0.00 0.00 -0.166 F ENDBRANCH 38 41 ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 10