REMARK Name = BDB014930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -6.268 4.725 3.363 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -5.580 4.077 2.272 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -5.571 4.596 1.409 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -4.434 3.369 2.527 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.840 2.773 1.426 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.480 2.247 1.658 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -2.056 1.318 0.579 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -0.872 0.549 0.420 0.00 0.00 +0.150 A ATOM 9 N LIG 1 -0.907 -0.127 -0.734 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -2.109 0.147 -1.275 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.815 1.043 -0.537 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.150 1.620 -0.806 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.309 2.909 0.028 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -3.973 3.269 3.662 0.00 0.00 -0.253 OA ENDROOT BRANCH 10 15 ATOM 15 C LIG 1 -2.493 -0.489 -2.527 0.00 0.00 +0.112 C ATOM 16 C LIG 1 -1.755 0.135 -3.720 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.597 -0.861 -4.861 0.00 0.00 +0.162 C ATOM 18 O LIG 1 -2.731 -1.720 -4.906 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -2.777 -2.629 -3.804 0.00 0.00 +0.162 C ATOM 20 C LIG 1 -2.301 -2.007 -2.496 0.00 0.00 +0.055 C ENDBRANCH 10 15 BRANCH 8 21 ATOM 21 N LIG 1 0.131 0.569 1.333 0.00 0.00 -0.298 N ATOM 22 H LIG 1 -0.003 1.143 2.158 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.318 -0.195 1.427 0.00 0.00 +0.035 A ATOM 24 C LIG 1 2.292 0.198 2.353 0.00 0.00 +0.051 A ATOM 25 C LIG 1 3.504 -0.495 2.445 0.00 0.00 +0.108 A ATOM 26 C LIG 1 3.759 -1.609 1.642 0.00 0.00 +0.037 A ATOM 27 C LIG 1 2.812 -2.009 0.696 0.00 0.00 -0.011 A ATOM 28 C LIG 1 1.606 -1.290 0.598 0.00 0.00 +0.032 A BRANCH 27 29 ATOM 29 C LIG 1 3.079 -3.151 -0.163 0.00 0.00 +0.020 A ATOM 30 C LIG 1 2.535 -3.351 -1.417 0.00 0.00 +0.116 A ATOM 31 N LIG 1 3.054 -4.524 -1.881 0.00 0.00 -0.274 N ATOM 32 C LIG 1 2.778 -5.155 -3.148 0.00 0.00 +0.172 C ATOM 33 N LIG 1 3.913 -5.105 -1.026 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 3.922 -4.274 0.019 0.00 0.00 +0.142 A ENDBRANCH 27 29 BRANCH 25 35 ATOM 35 S LIG 1 4.717 0.016 3.642 0.00 0.00 +0.060 S ATOM 36 O LIG 1 4.023 0.778 4.659 0.00 0.00 -0.153 OA ATOM 37 O LIG 1 5.500 -1.151 3.989 0.00 0.00 -0.153 OA BRANCH 35 38 ATOM 38 N LIG 1 5.705 1.083 2.759 0.00 0.00 -0.183 NA ATOM 39 C LIG 1 6.562 0.494 1.716 0.00 0.00 +0.131 C ATOM 40 C LIG 1 5.109 2.370 2.361 0.00 0.00 +0.131 C ENDBRANCH 35 38 ENDBRANCH 25 35 ENDBRANCH 21 23 ENDBRANCH 8 21 TORSDOF 6