REMARK Name = BDB063448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.294 -0.869 -0.301 0.00 0.00 -0.284 N ATOM 2 H LIG 1 1.322 -0.076 -0.925 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 6.415 -2.759 1.498 0.00 0.00 +0.044 C ATOM 4 C LIG 1 5.090 -2.217 1.039 0.00 0.00 -0.040 A ATOM 5 C LIG 1 4.953 -0.994 0.358 0.00 0.00 +0.022 A ATOM 6 C LIG 1 3.678 -0.597 -0.089 0.00 0.00 +0.035 A ATOM 7 C LIG 1 2.523 -1.359 0.151 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.676 -2.540 0.875 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.936 -2.968 1.307 0.00 0.00 +0.006 A BRANCH 5 10 ATOM 10 C LIG 1 6.074 -0.092 0.080 0.00 0.00 +0.140 A ATOM 11 N LIG 1 6.987 0.304 1.031 0.00 0.00 -0.338 N ATOM 12 H LIG 1 6.977 0.016 1.998 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 7.879 1.169 0.452 0.00 0.00 +0.069 A ATOM 14 C LIG 1 7.436 1.284 -0.862 0.00 0.00 +0.092 A ATOM 15 C LIG 1 8.128 2.113 -1.756 0.00 0.00 +0.071 A ATOM 16 C LIG 1 9.247 2.796 -1.280 0.00 0.00 +0.161 A ATOM 17 C LIG 1 9.670 2.664 0.042 0.00 0.00 +0.160 A ATOM 18 F LIG 1 10.750 3.338 0.464 0.00 0.00 -0.202 F ATOM 19 F LIG 1 9.925 3.594 -2.118 0.00 0.00 -0.202 F ATOM 20 C LIG 1 8.995 1.846 0.949 0.00 0.00 +0.069 A ATOM 21 N LIG 1 6.318 0.518 -1.066 0.00 0.00 -0.228 NA ENDBRANCH 5 10 ENDBRANCH 1 7 BRANCH 1 22 ATOM 22 C LIG 1 -0.022 -1.312 -0.201 0.00 0.00 +0.221 A ATOM 23 N LIG 1 -0.914 -0.582 -0.893 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 -2.219 -0.921 -0.842 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -2.628 -2.023 -0.113 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -1.656 -2.712 0.564 0.00 0.00 +0.118 A ATOM 27 N LIG 1 -0.359 -2.375 0.539 0.00 0.00 -0.223 NA BRANCH 24 28 ATOM 28 N LIG 1 -3.185 -0.182 -1.582 0.00 0.00 -0.288 N ATOM 29 C LIG 1 -2.602 0.952 -2.312 0.00 0.00 +0.137 C BRANCH 28 30 ATOM 30 C LIG 1 -4.505 0.126 -1.124 0.00 0.00 +0.037 A ATOM 31 C LIG 1 -4.738 0.447 0.238 0.00 0.00 +0.053 A ATOM 32 C LIG 1 -6.079 0.727 0.549 0.00 0.00 +0.095 A ATOM 33 C LIG 1 -7.103 0.682 -0.464 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -8.293 0.998 0.145 0.00 0.00 +0.044 A ATOM 35 N LIG 1 -7.946 1.223 1.457 0.00 0.00 -0.270 N ATOM 36 C LIG 1 -8.834 1.598 2.534 0.00 0.00 +0.172 C ATOM 37 C LIG 1 -9.684 1.114 -0.356 0.00 0.00 +0.066 C ATOM 38 C LIG 1 -6.926 0.377 -1.809 0.00 0.00 +0.013 A ATOM 39 N LIG 1 -6.635 1.059 1.725 0.00 0.00 -0.171 NA ATOM 40 C LIG 1 -5.572 0.099 -2.094 0.00 0.00 +0.024 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5