REMARK Name = LIG001155 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.599 -1.346 1.761 0.00 0.00 -0.029 A ATOM 2 C LIG 1 2.864 -1.157 1.192 0.00 0.00 +0.020 A ATOM 3 C LIG 1 3.599 -0.002 1.492 0.00 0.00 +0.068 A ATOM 4 C LIG 1 3.111 0.975 2.342 0.00 0.00 +0.100 A ATOM 5 N LIG 1 3.833 2.129 2.660 0.00 0.00 -0.131 NA ATOM 6 N LIG 1 4.949 2.329 2.138 0.00 0.00 -0.061 NA ATOM 7 N LIG 1 5.498 1.452 1.241 0.00 0.00 -0.198 N ATOM 8 C LIG 1 1.845 0.788 2.905 0.00 0.00 +0.031 A ATOM 9 C LIG 1 4.916 0.243 0.914 0.00 0.00 +0.278 A ATOM 10 O LIG 1 5.422 -0.597 0.175 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 1.093 -0.357 2.616 0.00 0.00 +0.007 A ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 6.840 1.804 0.773 0.00 0.00 +0.199 C ATOM 13 C LIG 1 6.938 1.707 -0.750 0.00 0.00 +0.244 C ATOM 14 O LIG 1 6.186 2.321 -1.507 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 7.896 0.863 -1.256 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.923 0.798 -2.265 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.523 -0.168 -0.604 0.00 0.00 +0.219 C ATOM 18 O LIG 1 9.160 -1.011 -1.230 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 8.352 -0.243 0.894 0.00 0.00 +0.099 C ATOM 20 C LIG 1 7.983 1.098 1.501 0.00 0.00 +0.046 C ENDBRANCH 7 12 BRANCH 1 21 ATOM 21 C LIG 1 0.773 -2.561 1.421 0.00 0.00 +0.141 C BRANCH 21 25 ATOM 22 N LIG 1 -2.046 -1.582 -0.650 0.00 0.00 -0.269 N ATOM 23 H LIG 1 -1.563 -1.887 -1.482 0.00 0.00 +0.156 HD ATOM 24 C LIG 1 -1.409 -1.862 0.539 0.00 0.00 +0.304 C ATOM 25 N LIG 1 -0.115 -2.287 0.312 0.00 0.00 -0.295 N ATOM 26 H LIG 1 0.324 -1.946 -0.529 0.00 0.00 +0.151 HD ATOM 27 O LIG 1 -1.887 -1.778 1.662 0.00 0.00 -0.252 OA BRANCH 22 32 ATOM 28 C LIG 1 -5.952 0.011 -1.374 0.00 0.00 -0.024 A ATOM 29 C LIG 1 -5.447 -0.100 -0.057 0.00 0.00 +0.046 A ATOM 30 CL LIG 1 -6.318 0.380 1.362 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 -4.164 -0.624 0.201 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -3.341 -1.058 -0.832 0.00 0.00 +0.036 A ATOM 33 C LIG 1 -3.815 -0.957 -2.135 0.00 0.00 +0.024 A ATOM 34 C LIG 1 -5.090 -0.436 -2.398 0.00 0.00 +0.007 A BRANCH 28 36 ATOM 35 C LIG 1 -7.486 2.050 -1.288 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -7.350 0.578 -1.736 0.00 0.00 -0.011 C ATOM 37 C LIG 1 -7.637 0.587 -3.265 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -8.473 -0.283 -1.115 0.00 0.00 +0.015 C ENDBRANCH 28 36 ENDBRANCH 22 32 ENDBRANCH 21 25 ENDBRANCH 1 21 TORSDOF 5