REMARK Name = LIG001764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.554 -1.271 -1.872 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -2.462 -2.641 -2.073 0.00 0.00 +0.099 A ATOM 3 CL LIG 1 -3.822 -3.689 -2.111 0.00 0.00 -0.078 Cl ATOM 4 C LIG 1 -1.192 -3.143 -2.229 0.00 0.00 +0.137 A ATOM 5 N LIG 1 -0.079 -2.383 -2.200 0.00 0.00 -0.221 NA ATOM 6 C LIG 1 -0.255 -1.068 -2.023 0.00 0.00 +0.217 A ATOM 7 N LIG 1 -1.449 -0.491 -1.849 0.00 0.00 -0.198 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -3.829 -0.672 -1.721 0.00 0.00 -0.297 N ATOM 9 H LIG 1 -4.442 -1.263 -1.147 0.00 0.00 +0.154 HD BRANCH 8 11 ATOM 10 C LIG 1 -4.998 1.252 -0.689 0.00 0.00 +0.110 A ATOM 11 C LIG 1 -4.137 0.703 -1.656 0.00 0.00 +0.058 A ATOM 12 C LIG 1 -3.555 1.593 -2.575 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -3.844 2.961 -2.557 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -4.726 3.475 -1.613 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -5.306 2.624 -0.677 0.00 0.00 +0.029 A BRANCH 10 16 ATOM 16 S LIG 1 -5.734 0.252 0.588 0.00 0.00 +0.001 S ATOM 17 O LIG 1 -5.551 -1.144 0.224 0.00 0.00 -0.169 OA ATOM 18 O LIG 1 -7.069 0.776 0.811 0.00 0.00 -0.169 OA BRANCH 16 20 ATOM 19 C LIG 1 -5.326 -0.132 3.256 0.00 0.00 +0.032 C ATOM 20 C LIG 1 -4.740 0.595 2.047 0.00 0.00 +0.130 C ATOM 21 C LIG 1 -3.278 0.206 1.852 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 0.828 -0.210 -1.999 0.00 0.00 -0.309 N ATOM 23 H LIG 1 0.511 0.661 -1.586 0.00 0.00 +0.149 HD BRANCH 22 24 ATOM 24 C LIG 1 2.081 -0.751 -1.500 0.00 0.00 +0.092 C ATOM 25 C LIG 1 3.226 0.265 -1.627 0.00 0.00 +0.130 C ATOM 26 N LIG 1 4.136 -0.058 -0.538 0.00 0.00 -0.296 N ATOM 27 C LIG 1 5.306 0.655 -0.369 0.00 0.00 +0.247 C ATOM 28 O LIG 1 5.626 1.597 -1.089 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 3.527 -1.001 0.388 0.00 0.00 +0.110 C ATOM 30 C LIG 1 2.053 -1.007 0.011 0.00 0.00 +0.043 C BRANCH 27 31 ATOM 31 C LIG 1 6.206 0.282 0.746 0.00 0.00 +0.037 A ATOM 32 C LIG 1 6.683 -1.026 0.881 0.00 0.00 +0.013 A ATOM 33 C LIG 1 7.543 -1.344 1.933 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.935 -0.355 2.837 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.478 0.956 2.687 0.00 0.00 +0.001 A ATOM 36 C LIG 1 6.619 1.278 1.636 0.00 0.00 +0.013 A ENDBRANCH 27 31 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 7