REMARK Name = LIG001835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.221 1.274 -2.007 0.00 0.00 +0.069 A ATOM 2 N LIG 1 -1.078 0.926 -1.728 0.00 0.00 -0.325 N ATOM 3 C LIG 1 -1.573 -0.246 -1.032 0.00 0.00 +0.139 C ATOM 4 C LIG 1 -3.024 -0.062 -0.569 0.00 0.00 +0.107 C ATOM 5 N LIG 1 -3.857 0.476 -1.662 0.00 0.00 -0.289 NA ATOM 6 C LIG 1 -3.393 1.835 -2.025 0.00 0.00 +0.159 C ATOM 7 C LIG 1 -1.909 1.906 -2.213 0.00 0.00 +0.124 A ATOM 8 N LIG 1 -1.213 2.877 -2.767 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.099 2.495 -2.646 0.00 0.00 +0.139 A ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.490 -0.530 0.281 0.00 0.00 -0.282 N ATOM 11 C LIG 1 4.925 -1.505 -0.525 0.00 0.00 +0.248 C ATOM 12 O LIG 1 5.387 -2.589 -0.823 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 3.650 -0.968 -1.009 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.514 0.331 -0.524 0.00 0.00 -0.017 A ATOM 15 C LIG 1 2.395 1.082 -0.843 0.00 0.00 +0.016 A ATOM 16 C LIG 1 1.407 0.503 -1.658 0.00 0.00 +0.000 A ATOM 17 C LIG 1 1.574 -0.812 -2.148 0.00 0.00 +0.011 A ATOM 18 C LIG 1 2.707 -1.563 -1.823 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.697 0.694 0.312 0.00 0.00 +0.144 C BRANCH 10 24 ATOM 20 C LIG 1 8.722 0.866 3.767 0.00 0.00 +0.141 C ATOM 21 N LIG 1 8.454 0.287 2.461 0.00 0.00 -0.244 N ATOM 22 C LIG 1 7.111 0.064 2.134 0.00 0.00 +0.242 C ATOM 23 O LIG 1 6.191 0.371 2.893 0.00 0.00 -0.273 OA ATOM 24 C LIG 1 6.860 -0.628 0.782 0.00 0.00 +0.164 C ATOM 25 C LIG 1 7.847 -0.103 -0.252 0.00 0.00 +0.041 C ATOM 26 C LIG 1 9.253 -0.400 0.223 0.00 0.00 +0.099 C ATOM 27 C LIG 1 9.527 0.219 1.573 0.00 0.00 +0.222 C ATOM 28 O LIG 1 10.661 0.608 1.853 0.00 0.00 -0.275 OA ENDBRANCH 10 24 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -5.284 0.529 -1.288 0.00 0.00 +0.120 C BRANCH 29 30 ATOM 30 C LIG 1 -5.928 -0.842 -1.156 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.723 -1.204 -0.042 0.00 0.00 -0.012 A ATOM 32 C LIG 1 -7.294 -2.491 -0.006 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -7.098 -3.401 -1.045 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.333 -3.039 -2.146 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.758 -1.770 -2.204 0.00 0.00 +0.005 A BRANCH 31 36 ATOM 36 C LIG 1 -7.001 -0.280 1.071 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.246 -0.258 2.259 0.00 0.00 +0.049 A ATOM 38 CL LIG 1 -4.905 -1.323 2.509 0.00 0.00 -0.083 Cl ATOM 39 C LIG 1 -6.554 0.642 3.285 0.00 0.00 +0.020 A ATOM 40 C LIG 1 -7.620 1.530 3.144 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -8.382 1.519 1.978 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -8.076 0.621 0.953 0.00 0.00 +0.010 A ENDBRANCH 31 36 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 5