REMARK Name = BDB038905 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.350 1.045 -0.151 0.00 0.00 +0.096 A ATOM 2 C LIG 1 -3.208 -0.046 0.029 0.00 0.00 +0.074 A ATOM 3 N LIG 1 -2.930 -1.385 0.204 0.00 0.00 -0.352 N ATOM 4 H LIG 1 -1.999 -1.778 0.239 0.00 0.00 +0.166 HD ATOM 5 C LIG 1 -4.086 -2.117 0.339 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -5.150 -1.218 0.269 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -6.463 -1.715 0.388 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -6.647 -3.086 0.567 0.00 0.00 +0.124 A ATOM 9 F LIG 1 -7.893 -3.566 0.680 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -5.574 -3.965 0.634 0.00 0.00 +0.040 A ATOM 11 C LIG 1 -4.263 -3.495 0.521 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.595 0.089 0.086 0.00 0.00 +0.012 A ATOM 13 C LIG 1 -5.152 1.369 -0.035 0.00 0.00 +0.045 A ATOM 14 CA LIG 1 -4.251 2.411 -0.192 0.00 0.00 +0.149 A ATOM 15 N LIG 1 -2.893 2.286 -0.246 0.00 0.00 -0.238 NA ENDROOT BRANCH 1 19 ATOM 16 C LIG 1 1.911 0.680 -0.329 0.00 0.00 +0.051 A ATOM 17 C LIG 1 1.114 -0.011 -1.243 0.00 0.00 +0.025 A ATOM 18 C LIG 1 -0.278 0.108 -1.186 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -0.896 0.931 -0.229 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -0.075 1.658 0.648 0.00 0.00 +0.012 A ATOM 21 C LIG 1 1.317 1.538 0.596 0.00 0.00 +0.025 A BRANCH 16 23 ATOM 22 C LIG 1 3.945 1.471 -1.441 0.00 0.00 +0.157 C ATOM 23 N LIG 1 3.350 0.633 -0.371 0.00 0.00 -0.206 N BRANCH 23 24 ATOM 24 S LIG 1 4.004 -0.948 -0.231 0.00 0.00 +0.076 S ATOM 25 O LIG 1 3.349 -1.639 0.861 0.00 0.00 -0.150 OA ATOM 26 O LIG 1 4.051 -1.530 -1.558 0.00 0.00 -0.150 OA BRANCH 24 27 ATOM 27 C LIG 1 5.656 -0.635 0.282 0.00 0.00 +0.127 A ATOM 28 C LIG 1 5.871 -0.115 1.545 0.00 0.00 +0.139 A ATOM 29 N LIG 1 7.106 0.166 2.025 0.00 0.00 -0.261 NA ATOM 30 C LIG 1 8.154 -0.107 1.214 0.00 0.00 +0.111 A ATOM 31 C LIG 1 8.027 -0.644 -0.059 0.00 0.00 +0.022 A ATOM 32 C LIG 1 6.748 -0.915 -0.537 0.00 0.00 +0.032 A ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 16 23 ENDBRANCH 1 19 BRANCH 14 33 ATOM 33 C LIG 1 -4.751 3.811 -0.323 0.00 0.00 +0.355 C ATOM 34 O LIG 1 -5.921 4.144 -0.291 0.00 0.00 -0.243 OA BRANCH 33 35 ATOM 35 OXT LIG 1 -3.712 4.666 -0.485 0.00 0.00 -0.476 OA ATOM 36 HXT LIG 1 -2.874 4.144 -0.481 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 14 33 TORSDOF 6