REMARK Name = LIG001701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.466 -4.379 0.501 0.00 0.00 -0.315 N ATOM 2 C LIG 1 0.323 -3.077 0.113 0.00 0.00 +0.167 A ATOM 3 C LIG 1 1.541 -2.492 0.389 0.00 0.00 +0.148 A ATOM 4 C LIG 1 1.666 -1.133 0.071 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.585 -0.515 -0.472 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -0.573 -1.186 -0.695 0.00 0.00 +0.222 A ATOM 7 N LIG 1 2.422 -3.407 0.929 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -0.756 -2.490 -0.419 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 1.739 -4.533 0.982 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -1.616 -0.478 -1.278 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -2.952 -1.090 -1.299 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -3.886 -0.464 -0.240 0.00 0.00 +0.125 C ATOM 13 N LIG 1 -3.960 1.009 -0.360 0.00 0.00 -0.312 N ATOM 14 C LIG 1 -2.962 1.632 -1.254 0.00 0.00 +0.125 C ATOM 15 C LIG 1 -1.577 0.980 -1.050 0.00 0.00 +0.127 C BRANCH 13 16 ATOM 16 C LIG 1 -5.225 1.593 -0.379 0.00 0.00 +0.121 A ATOM 17 N LIG 1 -5.481 2.578 -1.268 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 -6.706 3.151 -1.268 0.00 0.00 +0.113 A ATOM 19 C LIG 1 -7.723 2.800 -0.402 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -7.461 1.804 0.525 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -6.203 1.202 0.539 0.00 0.00 +0.043 A ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 23 ATOM 22 C LIG 1 -1.483 -5.420 1.588 0.00 0.00 +0.027 C ATOM 23 C LIG 1 -0.539 -5.414 0.399 0.00 0.00 +0.121 C ENDBRANCH 1 23 BRANCH 4 24 ATOM 24 N LIG 1 2.853 -0.426 0.320 0.00 0.00 -0.320 N ATOM 25 H LIG 1 3.600 -1.109 0.457 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 3.168 0.555 -0.715 0.00 0.00 +0.177 C BRANCH 26 27 ATOM 27 C LIG 1 4.383 1.366 -0.383 0.00 0.00 +0.125 A ATOM 28 N LIG 1 4.570 1.874 0.880 0.00 0.00 -0.341 N ATOM 29 H LIG 1 3.939 1.724 1.656 0.00 0.00 +0.167 HD ATOM 30 C LIG 1 5.753 2.565 0.894 0.00 0.00 +0.068 A ATOM 31 C LIG 1 6.239 2.438 -0.402 0.00 0.00 +0.091 A ATOM 32 C LIG 1 7.459 3.037 -0.743 0.00 0.00 +0.051 A ATOM 33 C LIG 1 8.155 3.751 0.243 0.00 0.00 +0.061 A ATOM 34 C LIG 1 7.643 3.863 1.546 0.00 0.00 +0.061 A ATOM 35 CL LIG 1 8.476 4.734 2.788 0.00 0.00 -0.082 Cl ATOM 36 CL LIG 1 9.657 4.475 -0.219 0.00 0.00 -0.082 Cl ATOM 37 C LIG 1 6.423 3.266 1.898 0.00 0.00 +0.049 A ATOM 38 N LIG 1 5.384 1.695 -1.176 0.00 0.00 -0.231 NA ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 4 24 TORSDOF 6