REMARK Name = BDB032772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.627 -2.342 -0.261 0.00 0.00 -0.010 A ATOM 2 C LIG 1 1.452 -1.509 0.508 0.00 0.00 +0.020 A ATOM 3 C LIG 1 2.681 -1.156 -0.018 0.00 0.00 +0.042 A ATOM 4 C LIG 1 3.723 -0.302 0.563 0.00 0.00 +0.248 C ATOM 5 N LIG 1 4.793 -0.318 -0.321 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.463 -1.009 -1.560 0.00 0.00 +0.144 C ATOM 7 O LIG 1 3.617 0.299 1.613 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.117 -1.582 -1.269 0.00 0.00 -0.018 A ATOM 9 C LIG 1 2.313 -2.395 -2.047 0.00 0.00 +0.006 A ATOM 10 C LIG 1 1.064 -2.772 -1.537 0.00 0.00 +0.007 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 5.942 0.577 -0.235 0.00 0.00 +0.163 C ATOM 12 C LIG 1 5.570 2.004 -0.667 0.00 0.00 +0.240 C ATOM 13 O LIG 1 4.708 2.256 -1.508 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 6.346 3.013 -0.145 0.00 0.00 -0.255 N ATOM 15 H LIG 1 6.123 3.948 -0.457 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.452 2.896 0.660 0.00 0.00 +0.219 C ATOM 17 O LIG 1 8.136 3.877 0.939 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 7.827 1.501 1.099 0.00 0.00 +0.098 C ATOM 19 C LIG 1 6.612 0.589 1.139 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.734 -2.738 0.253 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 O LIG 1 -1.611 -1.625 0.058 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -3.614 -0.724 0.229 0.00 0.00 -0.250 N ATOM 23 H LIG 1 -3.071 0.033 -0.166 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -2.888 -1.858 0.453 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -3.278 -2.914 0.924 0.00 0.00 -0.226 OA BRANCH 22 30 ATOM 26 C LIG 1 -9.113 0.195 1.239 0.00 0.00 +0.069 C ATOM 27 C LIG 1 -7.652 -0.013 0.958 0.00 0.00 +0.080 A ATOM 28 C LIG 1 -6.869 1.011 0.412 0.00 0.00 +0.153 A ATOM 29 C LIG 1 -5.517 0.742 0.179 0.00 0.00 +0.072 A ATOM 30 C LIG 1 -4.980 -0.513 0.487 0.00 0.00 +0.058 A ATOM 31 C LIG 1 -5.840 -1.461 1.026 0.00 0.00 +0.134 A ATOM 32 N LIG 1 -7.155 -1.237 1.264 0.00 0.00 -0.255 NA BRANCH 28 33 ATOM 33 O LIG 1 -7.508 2.191 0.155 0.00 0.00 -0.404 OA BRANCH 33 34 ATOM 34 C LIG 1 -6.756 3.254 -0.401 0.00 0.00 +0.575 C ATOM 35 F LIG 1 -7.569 4.317 -0.578 0.00 0.00 -0.133 F ATOM 36 F LIG 1 -6.245 2.909 -1.602 0.00 0.00 -0.133 F ATOM 37 F LIG 1 -5.753 3.621 0.424 0.00 0.00 -0.133 F ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7