REMARK Name = BDB035459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.206 -1.313 -1.290 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.372 -0.305 -0.511 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.134 0.580 0.157 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.826 -0.488 -0.585 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.823 0.268 0.005 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.152 -0.118 -0.211 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.429 -1.260 -1.002 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.402 -2.019 -1.596 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.092 -1.605 -1.369 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.806 -2.203 -1.842 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.938 -0.714 -1.307 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.544 -0.551 -1.128 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.594 -1.504 -1.528 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.060 -2.656 -2.171 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.426 -2.858 -2.370 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.345 -1.905 -1.935 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.005 0.378 -0.814 0.00 0.00 +0.061 C ATOM 18 C LIG 1 4.577 1.888 -0.738 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.887 2.259 -1.412 0.00 0.00 +0.074 C ATOM 20 O LIG 1 5.947 3.358 -2.328 0.00 0.00 -0.373 OA ATOM 21 C LIG 1 7.017 3.954 -1.548 0.00 0.00 +0.163 C ATOM 22 C LIG 1 6.977 2.814 -0.525 0.00 0.00 +0.063 C ATOM 23 C LIG 1 6.062 0.831 -1.894 0.00 0.00 +0.054 C BRANCH 17 26 ATOM 24 C LIG 1 3.681 -0.237 2.084 0.00 0.00 +0.151 C ATOM 25 N LIG 1 5.073 -0.348 1.746 0.00 0.00 -0.320 N ATOM 26 C LIG 1 5.681 -0.108 0.542 0.00 0.00 +0.144 A ATOM 27 N LIG 1 6.973 -0.333 0.668 0.00 0.00 -0.134 NA ATOM 28 N LIG 1 7.216 -0.717 1.964 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 6.066 -0.727 2.597 0.00 0.00 +0.224 A ENDBRANCH 17 26 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -3.697 -3.236 -2.430 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.185 -3.130 -3.688 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.146 -4.364 -1.903 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -5.022 -3.496 -2.583 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.288 0.653 0.428 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -5.828 -0.097 1.563 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.049 -0.375 2.161 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.886 0.646 2.269 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -6.259 1.778 3.131 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.110 1.267 4.313 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -7.157 -0.106 3.608 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -8.122 0.947 1.441 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 7