REMARK Name = LIG000438 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.091 -4.030 2.333 0.00 0.00 -0.339 N ATOM 2 H LIG 1 -1.465 -3.303 2.956 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.495 -3.772 1.011 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -2.036 -2.554 0.627 0.00 0.00 +0.070 A ATOM 5 C LIG 1 -2.373 -1.371 1.421 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -2.824 -0.418 0.547 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -2.770 -0.864 -0.743 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -3.027 -0.264 -1.768 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -2.243 -1.294 2.629 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -2.304 -2.248 -0.695 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.097 -3.153 -1.716 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -1.593 -4.405 -1.361 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -1.286 -4.705 -0.015 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -3.199 0.925 0.963 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -4.572 1.274 0.394 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.567 0.580 0.599 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -4.642 2.376 -0.425 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -5.558 2.564 -0.809 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -3.605 2.973 -1.095 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -3.818 3.766 -2.009 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -2.204 2.563 -0.705 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -2.143 1.996 0.703 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 0.363 -4.137 2.525 0.00 0.00 +0.137 C BRANCH 23 27 ATOM 24 C LIG 1 2.220 -0.394 1.393 0.00 0.00 +0.037 A ATOM 25 C LIG 1 1.530 -0.500 2.606 0.00 0.00 +0.013 A ATOM 26 C LIG 1 0.956 -1.716 2.987 0.00 0.00 +0.006 A ATOM 27 C LIG 1 1.071 -2.846 2.163 0.00 0.00 -0.030 A ATOM 28 C LIG 1 1.795 -2.743 0.965 0.00 0.00 +0.006 A ATOM 29 C LIG 1 2.371 -1.528 0.584 0.00 0.00 +0.013 A BRANCH 24 32 ATOM 30 N LIG 1 2.849 1.175 -0.346 0.00 0.00 -0.280 N ATOM 31 H LIG 1 2.436 0.511 -0.993 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 2.791 0.933 1.011 0.00 0.00 +0.248 C ATOM 33 O LIG 1 3.113 1.710 1.903 0.00 0.00 -0.270 OA BRANCH 30 35 ATOM 34 C LIG 1 3.224 2.317 -2.413 0.00 0.00 +0.046 A ATOM 35 C LIG 1 3.383 2.299 -1.010 0.00 0.00 +0.055 A ATOM 36 C LIG 1 4.061 3.338 -0.374 0.00 0.00 +0.025 A ATOM 37 C LIG 1 4.553 4.412 -1.122 0.00 0.00 +0.002 A ATOM 38 C LIG 1 4.369 4.450 -2.504 0.00 0.00 +0.002 A ATOM 39 C LIG 1 3.691 3.413 -3.147 0.00 0.00 +0.024 A BRANCH 34 40 ATOM 40 N LIG 1 2.384 1.351 -3.034 0.00 0.00 -0.357 N ATOM 41 H LIG 1 2.589 1.291 -4.031 0.00 0.00 +0.142 HD ATOM 42 H LIG 1 1.415 1.659 -2.936 0.00 0.00 +0.142 HD ENDBRANCH 34 40 ENDBRANCH 30 35 ENDBRANCH 24 32 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 7