REMARK Name = LIG001765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.970 0.113 -2.875 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -1.964 -0.540 -4.099 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 -3.382 -0.850 -5.017 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 -0.734 -0.951 -4.555 0.00 0.00 +0.137 A ATOM 5 N LIG 1 0.419 -0.749 -3.884 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 0.327 -0.113 -2.713 0.00 0.00 +0.217 A ATOM 7 N LIG 1 -0.824 0.332 -2.194 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -3.193 0.588 -2.335 0.00 0.00 -0.297 N ATOM 9 H LIG 1 -3.921 -0.129 -2.454 0.00 0.00 +0.154 HD BRANCH 8 11 ATOM 10 C LIG 1 -4.123 0.890 -0.053 0.00 0.00 +0.110 A ATOM 11 C LIG 1 -3.334 1.319 -1.133 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -2.617 2.518 -0.974 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -2.714 3.279 0.194 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -3.530 2.854 1.236 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.237 1.661 1.116 0.00 0.00 +0.029 A BRANCH 10 16 ATOM 16 S LIG 1 -5.014 -0.651 -0.098 0.00 0.00 +0.001 S ATOM 17 O LIG 1 -5.018 -1.122 -1.473 0.00 0.00 -0.169 OA ATOM 18 O LIG 1 -6.269 -0.423 0.596 0.00 0.00 -0.169 OA BRANCH 16 20 ATOM 19 C LIG 1 -4.718 -3.126 1.002 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -4.017 -1.774 0.892 0.00 0.00 +0.130 C ATOM 21 C LIG 1 -2.611 -1.949 0.329 0.00 0.00 +0.032 C ENDBRANCH 16 20 ENDBRANCH 10 16 ENDBRANCH 8 11 ENDBRANCH 1 8 BRANCH 6 22 ATOM 22 N LIG 1 1.519 0.073 -2.032 0.00 0.00 -0.309 N ATOM 23 H LIG 1 2.258 -0.072 -2.715 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 1.609 1.307 -1.249 0.00 0.00 +0.092 C ATOM 25 C LIG 1 3.078 1.717 -1.034 0.00 0.00 +0.130 C ATOM 26 N LIG 1 3.502 1.020 0.172 0.00 0.00 -0.296 N ATOM 27 C LIG 1 4.839 0.759 0.397 0.00 0.00 +0.247 C ATOM 28 O LIG 1 5.737 1.141 -0.347 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 2.361 0.417 0.847 0.00 0.00 +0.110 C ATOM 30 C LIG 1 1.144 1.058 0.190 0.00 0.00 +0.043 C BRANCH 27 31 ATOM 31 C LIG 1 5.202 -0.041 1.585 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.845 -1.268 1.400 0.00 0.00 +0.013 A ATOM 33 C LIG 1 6.211 -2.028 2.510 0.00 0.00 +0.001 A ATOM 34 C LIG 1 5.948 -1.555 3.797 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.327 -0.318 3.980 0.00 0.00 +0.001 A ATOM 36 C LIG 1 4.957 0.447 2.873 0.00 0.00 +0.013 A ENDBRANCH 27 31 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7