REMARK Name = LIG001750 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.148 0.383 -0.624 0.00 0.00 +0.210 A ATOM 2 C LIG 1 0.426 1.020 0.695 0.00 0.00 +0.288 A ATOM 3 O LIG 1 1.539 1.484 0.904 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 -0.614 0.982 1.596 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -1.761 0.212 1.410 0.00 0.00 +0.353 A ATOM 6 O LIG 1 -2.616 0.173 2.296 0.00 0.00 -0.244 OA ATOM 7 N LIG 1 -1.836 -0.489 0.185 0.00 0.00 -0.181 N ATOM 8 N LIG 1 -0.912 -0.335 -0.829 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 9 C LIG 1 4.328 -0.826 -2.764 0.00 0.00 +0.115 C ATOM 10 C LIG 1 2.920 -0.371 -3.158 0.00 0.00 +0.122 C ATOM 11 N LIG 1 1.955 -0.512 -2.070 0.00 0.00 -0.295 N ATOM 12 C LIG 1 1.100 0.551 -1.782 0.00 0.00 +0.272 C ATOM 13 O LIG 1 1.053 1.609 -2.398 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.936 -1.770 -1.326 0.00 0.00 +0.108 C ATOM 15 C LIG 1 2.986 -2.764 -1.809 0.00 0.00 +0.020 C ATOM 16 C LIG 1 4.357 -2.103 -1.910 0.00 0.00 +0.018 C BRANCH 9 17 ATOM 17 C LIG 1 5.069 0.311 -2.088 0.00 0.00 +0.312 C ATOM 18 O LIG 1 6.093 0.808 -2.539 0.00 0.00 -0.250 OA BRANCH 17 19 ATOM 19 O LIG 1 4.460 0.679 -0.929 0.00 0.00 -0.465 OA BRANCH 19 21 ATOM 20 C LIG 1 6.111 1.286 0.728 0.00 0.00 +0.048 C ATOM 21 C LIG 1 5.046 1.786 -0.228 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 9 17 ENDBRANCH 1 12 BRANCH 7 22 ATOM 22 C LIG 1 -2.908 -1.395 -0.170 0.00 0.00 +0.071 A ATOM 23 C LIG 1 -3.873 -1.845 0.744 0.00 0.00 +0.031 A ATOM 24 C LIG 1 -4.906 -2.735 0.376 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -5.904 -3.170 1.415 0.00 0.00 +0.044 C ATOM 26 C LIG 1 -4.980 -3.203 -0.947 0.00 0.00 -0.047 A ATOM 27 C LIG 1 -6.061 -4.149 -1.391 0.00 0.00 +0.044 C ATOM 28 C LIG 1 -4.023 -2.770 -1.867 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -3.007 -1.887 -1.483 0.00 0.00 +0.028 A ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -0.452 1.707 2.847 0.00 0.00 +0.165 C BRANCH 30 31 ATOM 31 C LIG 1 -0.917 3.142 2.720 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -0.016 4.154 2.357 0.00 0.00 +0.025 A ATOM 33 C LIG 1 -0.457 5.471 2.220 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 0.660 6.704 1.781 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -1.795 5.794 2.434 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -2.700 4.794 2.787 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -2.264 3.474 2.927 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 7