REMARK Name = BDB025881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.721 -0.890 -0.472 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.174 -2.128 -0.832 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.975 -3.184 -1.044 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.202 -2.327 -0.967 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.103 -1.290 -0.725 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.565 -0.015 -0.406 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.181 0.169 -0.270 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.494 -1.454 -0.792 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.219 -1.454 0.504 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.572 -2.876 1.031 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.358 -3.537 1.701 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.241 -3.691 -0.011 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -5.618 -5.025 0.443 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.439 -3.751 -1.247 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -4.081 -2.355 -1.804 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.899 -0.311 -0.039 0.00 0.00 +0.218 A ATOM 17 N LIG 1 4.451 -1.067 -1.053 0.00 0.00 -0.222 NA ATOM 18 C LIG 1 3.114 -1.239 -1.170 0.00 0.00 +0.124 A ATOM 19 C LIG 1 2.171 -0.693 -0.323 0.00 0.00 +0.021 A ATOM 20 C LIG 1 2.739 0.064 0.682 0.00 0.00 +0.124 A ATOM 21 N LIG 1 4.067 0.264 0.843 0.00 0.00 -0.222 NA BRANCH 16 28 ATOM 22 C LIG 1 8.521 2.760 1.131 0.00 0.00 +0.039 C ATOM 23 C LIG 1 7.974 1.630 0.268 0.00 0.00 +0.133 C ATOM 24 O LIG 1 9.041 0.690 0.065 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.616 -0.577 -0.471 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.926 -1.648 0.573 0.00 0.00 +0.039 C ATOM 27 C LIG 1 7.142 -0.629 -0.936 0.00 0.00 +0.139 C ATOM 28 N LIG 1 6.256 -0.139 0.116 0.00 0.00 -0.295 N ATOM 29 C LIG 1 6.732 0.986 0.922 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.496 1.044 -0.317 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.432 0.750 -0.590 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.271 2.348 0.045 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.227 2.833 0.462 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.501 3.191 -0.033 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.220 3.476 -1.266 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.310 4.264 -1.216 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.792 4.844 0.066 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -6.803 5.538 0.059 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.031 4.540 1.190 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -5.413 5.096 2.480 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -3.906 3.734 1.125 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -3.709 2.919 -2.558 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.387 3.148 -2.738 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.345 3.448 -3.636 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.903 1.578 -2.623 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6