REMARK Name = LIG001430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.107 0.474 -1.169 0.00 0.00 +0.252 C ATOM 2 N LIG 1 0.559 -0.338 -0.196 0.00 0.00 -0.281 N ATOM 3 H LIG 1 1.216 -0.936 0.295 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.481 1.282 -1.849 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -0.787 -0.427 0.212 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.825 0.313 -0.367 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -3.113 0.145 0.118 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.385 0.782 -0.328 0.00 0.00 +0.144 C ATOM 9 N LIG 1 -5.354 0.266 0.630 0.00 0.00 -0.282 N ATOM 10 C LIG 1 -4.802 -0.707 1.451 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -5.361 -1.424 2.258 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -3.365 -0.743 1.159 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -2.372 -1.495 1.750 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -1.070 -1.328 1.266 0.00 0.00 +0.024 A BRANCH 9 15 ATOM 15 C LIG 1 -6.785 0.473 0.447 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -7.405 -0.645 -0.406 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -6.794 -1.246 -1.289 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -8.749 -0.874 -0.215 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -9.162 -1.587 -0.800 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -9.614 -0.190 0.602 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -10.820 -0.420 0.580 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -9.019 0.909 1.451 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -7.555 0.638 1.757 0.00 0.00 +0.041 C ENDBRANCH 9 15 ENDBRANCH 2 5 BRANCH 1 25 ATOM 24 C LIG 1 3.473 -0.429 -0.610 0.00 0.00 +0.136 A ATOM 25 C LIG 1 2.592 0.340 -1.404 0.00 0.00 +0.079 A ATOM 26 C LIG 1 3.108 1.049 -2.507 0.00 0.00 +0.020 A ATOM 27 C LIG 1 4.466 1.004 -2.823 0.00 0.00 +0.047 A ATOM 28 C LIG 1 5.329 0.258 -2.030 0.00 0.00 +0.132 A ATOM 29 C LIG 1 4.836 -0.474 -0.944 0.00 0.00 +0.092 A BRANCH 24 31 ATOM 30 C LIG 1 3.853 -1.732 1.366 0.00 0.00 +0.277 C ATOM 31 O LIG 1 2.944 -1.116 0.456 0.00 0.00 -0.494 OA ENDBRANCH 24 31 BRANCH 28 32 ATOM 32 O LIG 1 6.651 0.222 -2.410 0.00 0.00 -0.456 OA BRANCH 32 33 ATOM 33 C LIG 1 7.594 0.385 -1.421 0.00 0.00 +0.128 A ATOM 34 C LIG 1 7.543 1.433 -0.499 0.00 0.00 +0.046 A ATOM 35 C LIG 1 8.547 1.559 0.462 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.605 0.650 0.490 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.667 -0.381 -0.448 0.00 0.00 +0.004 A ATOM 38 C LIG 1 8.665 -0.510 -1.409 0.00 0.00 +0.046 A ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 1 25 TORSDOF 6