REMARK Name = LIG000703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.476 -0.930 -0.404 0.00 0.00 +0.028 A ATOM 2 C LIG 1 1.442 -0.162 0.266 0.00 0.00 +0.028 A ATOM 3 C LIG 1 2.784 -0.478 0.115 0.00 0.00 -0.016 A ATOM 4 C LIG 1 3.989 0.192 0.682 0.00 0.00 +0.144 C ATOM 5 N LIG 1 5.076 -0.670 0.237 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.633 -1.649 -0.641 0.00 0.00 +0.248 C ATOM 7 O LIG 1 5.292 -2.436 -1.292 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 3.169 -1.559 -0.671 0.00 0.00 +0.042 A ATOM 9 C LIG 1 2.257 -2.362 -1.321 0.00 0.00 +0.015 A ATOM 10 C LIG 1 0.904 -2.046 -1.166 0.00 0.00 +0.023 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.471 -0.273 0.392 0.00 0.00 +0.163 C ATOM 12 C LIG 1 6.949 0.561 -0.807 0.00 0.00 +0.240 C ATOM 13 O LIG 1 6.213 1.306 -1.453 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 8.301 0.532 -1.061 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.618 1.108 -1.828 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 9.283 -0.087 -0.328 0.00 0.00 +0.219 C ATOM 17 O LIG 1 10.470 0.094 -0.583 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 8.830 -0.914 0.852 0.00 0.00 +0.098 C ATOM 19 C LIG 1 7.420 -1.444 0.645 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 -0.903 -0.737 -0.250 0.00 0.00 -0.340 N ATOM 21 H LIG 1 -1.419 -1.083 -1.056 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.407 0.572 0.171 0.00 0.00 +0.140 C BRANCH 22 24 ATOM 23 C LIG 1 -3.681 1.569 -0.417 0.00 0.00 +0.125 A ATOM 24 C LIG 1 -2.923 0.559 0.193 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -3.591 -0.469 0.886 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -4.990 -0.524 0.959 0.00 0.00 -0.014 A ATOM 27 C LIG 1 -5.762 0.481 0.334 0.00 0.00 +0.027 A ATOM 28 C LIG 1 -7.179 0.411 0.416 0.00 0.00 +0.128 A ATOM 29 C LIG 1 -7.790 -0.640 1.107 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -7.016 -1.624 1.720 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.627 -1.566 1.646 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.080 1.517 -0.346 0.00 0.00 +0.058 A BRANCH 23 34 ATOM 33 C LIG 1 -3.712 3.571 -1.720 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -2.973 2.558 -1.048 0.00 0.00 -0.495 OA ENDBRANCH 23 34 BRANCH 28 35 ATOM 35 O LIG 1 -7.870 1.421 -0.214 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -9.290 1.380 -0.161 0.00 0.00 +0.277 C ENDBRANCH 28 35 ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6