REMARK Name = BDB037830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.202 -2.284 1.968 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -0.809 -1.419 1.534 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.896 -0.088 1.904 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.089 0.398 1.317 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.667 -0.553 0.565 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.152 0.560 2.757 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.494 -0.169 2.481 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.880 -1.645 0.701 0.00 0.00 -0.246 N ATOM 9 C LIG 1 1.315 -1.700 2.618 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.165 -2.385 3.194 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.654 1.751 1.388 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.712 2.457 0.189 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.310 3.759 0.109 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -3.348 4.191 -1.326 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -2.714 3.101 -2.146 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.631 3.978 -0.571 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -2.404 1.937 -1.166 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -3.013 2.239 2.458 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -1.001 1.494 -1.308 0.00 0.00 +0.085 C ATOM 20 N LIG 1 0.097 1.116 -1.382 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -2.200 -2.796 -0.138 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.357 -2.425 -1.620 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -2.720 -3.665 -2.422 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -3.905 -4.264 -1.905 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.763 -4.701 -0.555 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.447 -3.530 0.362 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.041 0.133 1.147 0.00 0.00 -0.303 N ATOM 28 H LIG 1 1.408 0.117 0.350 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 3.396 0.147 0.907 0.00 0.00 +0.217 C ATOM 30 O LIG 1 4.236 0.024 1.790 0.00 0.00 -0.275 OA BRANCH 29 31 ATOM 31 C LIG 1 3.749 0.393 -0.558 0.00 0.00 +0.075 C ATOM 32 C LIG 1 5.180 -0.067 -0.891 0.00 0.00 +0.018 C ATOM 33 C LIG 1 5.773 0.610 -2.132 0.00 0.00 +0.076 C ATOM 34 C LIG 1 4.699 1.142 -3.061 0.00 0.00 +0.249 C ATOM 35 F LIG 1 5.265 1.696 -4.160 0.00 0.00 -0.206 F ATOM 36 F LIG 1 3.948 0.098 -3.504 0.00 0.00 -0.206 F ATOM 37 C LIG 1 3.792 2.162 -2.386 0.00 0.00 +0.076 C ATOM 38 C LIG 1 3.564 1.875 -0.900 0.00 0.00 +0.018 C ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 39 ATOM 39 C LIG 1 0.328 2.056 2.582 0.00 0.00 -0.001 C ATOM 40 C LIG 1 -0.323 3.033 3.531 0.00 0.00 +0.004 C ATOM 41 C LIG 1 1.163 2.837 3.573 0.00 0.00 +0.004 C ENDBRANCH 6 39 BRANCH 1 43 ATOM 42 C LIG 1 1.049 -4.361 0.916 0.00 0.00 +0.025 C ATOM 43 C LIG 1 0.147 -3.742 1.975 0.00 0.00 +0.112 C ENDBRANCH 1 43 TORSDOF 7