REMARK Name = LIG000024 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.514 0.685 0.353 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.564 -0.240 0.772 0.00 0.00 -0.284 N ATOM 3 C LIG 1 0.832 0.211 0.889 0.00 0.00 +0.167 C ATOM 4 C LIG 1 1.519 -0.435 2.098 0.00 0.00 +0.067 C ATOM 5 C LIG 1 1.409 -1.935 2.051 0.00 0.00 -0.040 A ATOM 6 C LIG 1 0.296 -2.521 1.429 0.00 0.00 -0.027 A ATOM 7 C LIG 1 0.197 -3.920 1.387 0.00 0.00 +0.005 A ATOM 8 C LIG 1 1.184 -4.720 1.959 0.00 0.00 +0.000 A ATOM 9 C LIG 1 2.277 -4.133 2.590 0.00 0.00 +0.000 A ATOM 10 C LIG 1 2.387 -2.745 2.641 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -0.807 -1.686 0.817 0.00 0.00 +0.144 C ATOM 12 O LIG 1 -1.254 1.896 0.346 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 13 ATOM 13 C LIG 1 1.608 -0.056 -0.426 0.00 0.00 +0.234 C ATOM 14 N LIG 1 2.858 0.530 -0.486 0.00 0.00 -0.307 N ATOM 15 H LIG 1 3.239 0.976 0.335 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 1.161 -0.742 -1.346 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 3.793 0.205 -1.553 0.00 0.00 +0.103 C ATOM 18 C LIG 1 4.813 1.306 -1.800 0.00 0.00 -0.024 A ATOM 19 C LIG 1 5.948 0.980 -2.573 0.00 0.00 -0.042 A ATOM 20 C LIG 1 6.910 1.956 -2.860 0.00 0.00 +0.004 A ATOM 21 C LIG 1 6.752 3.253 -2.378 0.00 0.00 +0.000 A ATOM 22 C LIG 1 5.623 3.588 -1.634 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.055 -0.416 -3.130 0.00 0.00 +0.035 C ATOM 24 C LIG 1 5.729 -1.454 -2.059 0.00 0.00 +0.007 C ATOM 25 C LIG 1 4.651 2.625 -1.359 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.506 -1.115 -1.200 0.00 0.00 +0.027 C ENDBRANCH 14 17 ENDBRANCH 3 13 BRANCH 1 27 ATOM 27 C LIG 1 -2.938 0.195 -0.040 0.00 0.00 +0.164 C BRANCH 27 29 ATOM 28 C LIG 1 -4.163 0.500 2.096 0.00 0.00 +0.230 C ATOM 29 N LIG 1 -3.867 0.926 0.818 0.00 0.00 -0.302 N ATOM 30 H LIG 1 -4.024 1.911 0.636 0.00 0.00 +0.150 HD ATOM 31 O LIG 1 -3.793 -0.583 2.541 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 32 C LIG 1 -4.980 1.528 2.913 0.00 0.00 +0.137 C ATOM 33 C LIG 1 -5.304 1.019 4.314 0.00 0.00 +0.034 C BRANCH 32 35 ATOM 34 C LIG 1 -7.154 0.926 1.935 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -6.170 1.988 2.151 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -6.622 2.733 2.680 0.00 0.00 +0.122 HD ENDBRANCH 32 35 ENDBRANCH 28 32 ENDBRANCH 27 29 BRANCH 27 37 ATOM 37 C LIG 1 -3.268 0.379 -1.558 0.00 0.00 -0.011 C ATOM 38 C LIG 1 -3.210 1.848 -2.027 0.00 0.00 +0.013 C ATOM 39 C LIG 1 -4.691 -0.159 -1.834 0.00 0.00 +0.013 C ATOM 40 C LIG 1 -2.283 -0.435 -2.420 0.00 0.00 +0.013 C ENDBRANCH 27 37 ENDBRANCH 1 27 TORSDOF 7