REMARK Name = LIG000985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.887 0.100 0.024 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.417 1.331 -0.032 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.489 2.283 -0.199 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.123 2.100 -0.318 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.474 3.308 -0.467 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.435 4.208 -0.447 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.657 0.777 -0.255 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.672 3.637 -0.287 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.579 -0.206 -0.077 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.931 4.365 -0.221 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.867 4.004 -1.375 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.620 4.203 1.134 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.817 -0.920 0.215 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.708 -0.498 -0.029 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -3.519 -2.182 -0.481 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -5.773 -3.276 0.222 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -4.845 -2.850 -0.908 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -2.661 -3.095 0.424 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.154 -3.098 1.765 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.393 -2.163 1.932 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.703 0.473 -0.381 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.258 1.316 -0.237 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.136 -0.671 0.400 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.639 -0.792 0.309 0.00 0.00 -0.030 A ATOM 25 C LIG 1 3.449 -0.551 1.423 0.00 0.00 +0.006 A ATOM 26 C LIG 1 4.841 -0.664 1.325 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.473 -1.009 0.117 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.644 -1.251 -0.993 0.00 0.00 +0.010 A ATOM 29 C LIG 1 3.251 -1.142 -0.901 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 6.947 -1.113 0.039 0.00 0.00 +0.074 A ATOM 31 N LIG 1 7.576 -1.472 1.190 0.00 0.00 -0.255 NA ATOM 32 C LIG 1 8.923 -1.588 1.182 0.00 0.00 +0.114 A ATOM 33 C LIG 1 9.701 -1.355 0.070 0.00 0.00 +0.058 A ATOM 34 C LIG 1 9.045 -0.981 -1.087 0.00 0.00 +0.127 A ATOM 35 F LIG 1 9.756 -0.734 -2.195 0.00 0.00 -0.205 F ATOM 36 C LIG 1 7.665 -0.852 -1.122 0.00 0.00 +0.066 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10