REMARK Name = LIG001049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.380 1.966 -1.214 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -1.903 2.337 -2.006 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 -4.283 -1.078 0.082 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -3.650 -2.130 -0.561 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -4.017 -3.287 -0.641 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 -2.422 -1.590 -1.154 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.392 -0.215 -0.916 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.332 0.560 -1.363 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -0.331 -0.099 -2.099 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.371 -1.489 -2.327 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -1.433 -2.254 -1.850 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -3.604 0.192 -0.147 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 -9.322 0.269 1.743 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -8.261 -0.256 1.420 0.00 0.00 +0.219 C ATOM 15 N LIG 1 -7.952 -0.475 0.102 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.622 -0.094 -0.553 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -6.681 -0.631 -0.405 0.00 0.00 +0.240 C ATOM 18 O LIG 1 -6.438 -0.323 -1.569 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 -5.645 -1.183 0.589 0.00 0.00 +0.163 C ATOM 20 C LIG 1 -5.823 -0.480 1.931 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -7.239 -0.709 2.437 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 -0.254 2.812 -1.009 0.00 0.00 +0.128 A ATOM 23 N LIG 1 0.945 2.292 -0.700 0.00 0.00 -0.199 NA ATOM 24 C LIG 1 1.971 3.119 -0.464 0.00 0.00 +0.221 A ATOM 25 N LIG 1 1.859 4.455 -0.509 0.00 0.00 -0.223 NA ATOM 26 C LIG 1 0.645 4.956 -0.786 0.00 0.00 +0.118 A ATOM 27 C LIG 1 -0.455 4.176 -1.039 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 N LIG 1 3.247 2.644 -0.177 0.00 0.00 -0.284 N ATOM 29 H LIG 1 3.868 3.428 -0.045 0.00 0.00 +0.155 HD BRANCH 28 30 ATOM 30 C LIG 1 3.773 1.372 0.071 0.00 0.00 +0.034 A ATOM 31 C LIG 1 5.166 1.233 0.193 0.00 0.00 +0.027 A ATOM 32 C LIG 1 5.777 -0.016 0.403 0.00 0.00 -0.042 A ATOM 33 C LIG 1 7.276 -0.082 0.561 0.00 0.00 +0.035 C ATOM 34 C LIG 1 7.838 -1.495 0.404 0.00 0.00 +0.005 C ATOM 35 C LIG 1 7.019 -2.487 1.221 0.00 0.00 +0.005 C ATOM 36 C LIG 1 5.578 -2.531 0.717 0.00 0.00 +0.035 C ATOM 37 C LIG 1 4.977 -1.163 0.514 0.00 0.00 -0.044 A ATOM 38 C LIG 1 3.591 -1.038 0.373 0.00 0.00 +0.006 A ATOM 39 C LIG 1 3.002 0.211 0.153 0.00 0.00 +0.023 A ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 22 TORSDOF 5