REMARK Name = LIG000173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.375 -0.822 -2.998 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -2.372 -0.537 -2.334 0.00 0.00 +0.222 C ATOM 3 N LIG 1 -2.399 -0.603 -0.941 0.00 0.00 -0.238 N ATOM 4 C LIG 1 -3.548 -0.544 -0.145 0.00 0.00 +0.243 C ATOM 5 O LIG 1 -3.529 -0.775 1.066 0.00 0.00 -0.273 OA ATOM 6 C LIG 1 -4.862 -0.276 -0.889 0.00 0.00 +0.171 C ATOM 7 C LIG 1 -4.610 0.578 -2.121 0.00 0.00 +0.041 C ATOM 8 C LIG 1 -3.666 -0.180 -3.032 0.00 0.00 +0.099 C ENDROOT BRANCH 6 9 ATOM 9 N LIG 1 -5.830 0.293 0.038 0.00 0.00 -0.222 N ATOM 10 C LIG 1 -6.791 -0.457 0.661 0.00 0.00 +0.254 C ATOM 11 O LIG 1 -7.086 -1.623 0.479 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -7.450 0.423 1.624 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -6.827 1.655 1.556 0.00 0.00 +0.049 A ATOM 14 C LIG 1 -7.213 2.714 2.354 0.00 0.00 +0.014 A ATOM 15 C LIG 1 -8.272 2.494 3.240 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.909 1.237 3.307 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -8.497 0.178 2.491 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -5.768 1.559 0.554 0.00 0.00 +0.254 C ATOM 19 O LIG 1 -4.997 2.459 0.284 0.00 0.00 -0.270 OA ENDBRANCH 6 9 BRANCH 3 20 ATOM 20 C LIG 1 -1.134 -0.903 -0.272 0.00 0.00 +0.144 C BRANCH 20 21 ATOM 21 C LIG 1 -0.864 -2.409 -0.185 0.00 0.00 +0.179 C BRANCH 21 22 ATOM 22 O LIG 1 0.453 -2.669 0.301 0.00 0.00 -0.376 OA BRANCH 22 23 ATOM 23 C LIG 1 1.433 -2.699 -0.744 0.00 0.00 +0.188 C BRANCH 23 24 ATOM 24 C LIG 1 2.833 -2.748 -0.126 0.00 0.00 +0.188 C BRANCH 24 25 ATOM 25 O LIG 1 3.185 -1.502 0.488 0.00 0.00 -0.375 OA BRANCH 25 26 ATOM 26 C LIG 1 3.722 -0.539 -0.418 0.00 0.00 +0.188 C BRANCH 26 27 ATOM 27 C LIG 1 5.237 -0.684 -0.549 0.00 0.00 +0.188 C BRANCH 27 28 ATOM 28 O LIG 1 5.718 0.278 -1.488 0.00 0.00 -0.373 OA BRANCH 28 29 ATOM 29 C LIG 1 7.139 0.238 -1.634 0.00 0.00 +0.195 C BRANCH 29 30 ATOM 30 C LIG 1 7.848 0.955 -0.511 0.00 0.00 -0.022 A ATOM 31 C LIG 1 8.982 0.389 0.089 0.00 0.00 +0.006 A ATOM 32 C LIG 1 9.650 1.062 1.114 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.198 2.308 1.544 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.079 2.885 0.947 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.410 2.214 -0.078 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 3 20 TORSDOF 12