REMARK Name = LIG001703 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.937 -4.025 -0.638 0.00 0.00 +0.164 A ATOM 2 C LIG 1 3.231 -2.832 -0.318 0.00 0.00 +0.131 A ATOM 3 C LIG 1 4.201 -1.844 -0.254 0.00 0.00 +0.090 A ATOM 4 C LIG 1 3.888 -0.514 0.046 0.00 0.00 -0.004 A ATOM 5 C LIG 1 2.517 -0.285 0.257 0.00 0.00 +0.035 A ATOM 6 C LIG 1 1.579 -1.321 0.166 0.00 0.00 +0.072 A ATOM 7 N LIG 1 5.374 -2.492 -0.537 0.00 0.00 -0.273 N ATOM 8 H LIG 1 6.305 -2.094 -0.585 0.00 0.00 +0.189 HD ATOM 9 N LIG 1 1.910 -2.603 -0.112 0.00 0.00 -0.242 NA ATOM 10 N LIG 1 5.242 -3.807 -0.789 0.00 0.00 -0.156 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.133 -1.085 0.377 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -0.503 0.077 -0.112 0.00 0.00 +0.016 A ATOM 13 C LIG 1 -1.861 0.253 0.110 0.00 0.00 -0.017 A ATOM 14 C LIG 1 -2.753 1.381 -0.286 0.00 0.00 +0.144 C ATOM 15 N LIG 1 -4.061 0.930 0.168 0.00 0.00 -0.282 N ATOM 16 C LIG 1 -3.981 -0.247 0.892 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -4.856 -0.807 1.521 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 -2.590 -0.704 0.807 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -2.018 -1.856 1.304 0.00 0.00 +0.014 A ATOM 20 C LIG 1 -0.651 -2.041 1.078 0.00 0.00 +0.011 A BRANCH 15 21 ATOM 21 C LIG 1 -5.222 1.812 0.112 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -5.466 2.452 1.478 0.00 0.00 +0.240 C ATOM 23 O LIG 1 -4.633 3.179 2.020 0.00 0.00 -0.273 OA ATOM 24 N LIG 1 -6.644 2.148 2.111 0.00 0.00 -0.255 N ATOM 25 H LIG 1 -6.781 2.574 3.017 0.00 0.00 +0.158 HD ATOM 26 C LIG 1 -7.609 1.251 1.735 0.00 0.00 +0.219 C ATOM 27 O LIG 1 -8.600 1.072 2.439 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 -7.389 0.488 0.454 0.00 0.00 +0.098 C ATOM 29 C LIG 1 -6.478 1.216 -0.519 0.00 0.00 +0.041 C ENDBRANCH 15 21 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 N LIG 1 3.359 -5.229 -0.792 0.00 0.00 -0.340 N ATOM 31 H LIG 1 2.357 -5.259 -0.952 0.00 0.00 +0.144 HD ATOM 32 H LIG 1 3.886 -5.927 -1.302 0.00 0.00 +0.144 HD ENDBRANCH 1 30 BRANCH 4 33 ATOM 33 C LIG 1 4.891 0.608 0.142 0.00 0.00 +0.122 C BRANCH 33 34 ATOM 34 N LIG 1 4.662 1.639 -0.885 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 5.731 2.665 -0.816 0.00 0.00 +0.123 C ATOM 36 C LIG 1 6.517 1.922 -1.915 0.00 0.00 +0.194 C ATOM 37 F LIG 1 7.525 1.122 -1.483 0.00 0.00 -0.243 F ATOM 38 C LIG 1 5.182 1.211 -2.207 0.00 0.00 +0.123 C ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 5