REMARK Name = LIG001432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.671 -0.006 -0.720 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.201 0.415 -1.708 0.00 0.00 -0.281 N ATOM 3 H LIG 1 0.207 0.706 -2.586 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.378 -0.545 0.340 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 -1.612 0.393 -1.667 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -2.347 0.028 -0.531 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -3.731 0.047 -0.600 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.737 -0.275 0.454 0.00 0.00 +0.144 C ATOM 9 N LIG 1 -6.001 -0.138 -0.262 0.00 0.00 -0.282 N ATOM 10 C LIG 1 -5.821 0.352 -1.548 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -6.673 0.668 -2.356 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 -4.374 0.426 -1.775 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -3.686 0.800 -2.909 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.289 0.781 -2.847 0.00 0.00 +0.024 A BRANCH 9 15 ATOM 15 C LIG 1 -7.299 -0.111 0.399 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -7.489 1.154 1.254 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -6.758 2.140 1.211 0.00 0.00 -0.273 OA ATOM 18 N LIG 1 -8.565 1.126 2.112 0.00 0.00 -0.255 N ATOM 19 H LIG 1 -8.675 1.955 2.682 0.00 0.00 +0.158 HD ATOM 20 C LIG 1 -9.166 -0.000 2.615 0.00 0.00 +0.219 C ATOM 21 O LIG 1 -9.865 0.051 3.622 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 -8.941 -1.284 1.851 0.00 0.00 +0.098 C ATOM 23 C LIG 1 -7.536 -1.340 1.271 0.00 0.00 +0.041 C ENDBRANCH 9 15 ENDBRANCH 2 5 BRANCH 1 27 ATOM 24 C LIG 1 4.840 0.516 -1.558 0.00 0.00 +0.128 A ATOM 25 C LIG 1 4.393 -0.622 -0.882 0.00 0.00 +0.047 A ATOM 26 C LIG 1 3.032 -0.775 -0.607 0.00 0.00 +0.016 A ATOM 27 C LIG 1 2.114 0.194 -1.034 0.00 0.00 +0.037 A ATOM 28 C LIG 1 2.567 1.331 -1.717 0.00 0.00 +0.016 A ATOM 29 C LIG 1 3.930 1.483 -1.988 0.00 0.00 +0.047 A BRANCH 24 30 ATOM 30 O LIG 1 6.161 0.715 -1.890 0.00 0.00 -0.456 OA BRANCH 30 34 ATOM 31 C LIG 1 9.121 0.029 0.972 0.00 0.00 +0.120 A ATOM 32 C LIG 1 9.230 -0.480 -0.326 0.00 0.00 +0.049 A ATOM 33 C LIG 1 8.228 -0.246 -1.269 0.00 0.00 +0.050 A ATOM 34 C LIG 1 7.100 0.489 -0.910 0.00 0.00 +0.129 A ATOM 35 C LIG 1 6.993 1.023 0.376 0.00 0.00 +0.050 A ATOM 36 C LIG 1 8.000 0.785 1.318 0.00 0.00 +0.049 A BRANCH 31 38 ATOM 37 C LIG 1 10.106 0.212 3.128 0.00 0.00 +0.277 C ATOM 38 O LIG 1 10.171 -0.276 1.793 0.00 0.00 -0.495 OA ENDBRANCH 31 38 ENDBRANCH 30 34 ENDBRANCH 24 30 ENDBRANCH 1 27 TORSDOF 6