REMARK Name = LIG001885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.809 -1.046 3.130 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.501 -1.292 1.687 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -3.392 -0.368 0.657 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.533 1.113 0.862 0.00 0.00 +0.045 C ATOM 5 C LIG 1 -3.129 -1.019 -0.622 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -3.105 -0.366 -1.935 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -2.223 -0.605 -2.833 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 -1.119 -1.553 -2.734 0.00 0.00 +0.183 C ATOM 9 C LIG 1 -1.597 -2.941 -2.441 0.00 0.00 +0.163 A ATOM 10 N LIG 1 -2.407 -3.282 -1.368 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -2.502 -4.668 -1.454 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -3.346 -5.551 -0.614 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -1.779 -5.101 -2.466 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -1.216 -4.025 -3.083 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -2.904 -2.371 -0.429 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -3.199 -2.880 1.154 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 -4.180 0.615 -2.271 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.501 0.425 -1.841 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -6.487 1.355 -2.184 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.157 2.463 -2.965 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -7.373 3.606 -3.381 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -4.850 2.648 -3.413 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.862 1.721 -3.072 0.00 0.00 +0.011 A ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 -0.018 -1.104 -1.767 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 0.789 0.079 -2.278 0.00 0.00 +0.218 C ATOM 26 N LIG 1 1.839 0.512 -1.464 0.00 0.00 -0.298 N ATOM 27 C LIG 1 2.514 1.758 -1.850 0.00 0.00 +0.126 C ATOM 28 C LIG 1 3.957 1.842 -1.340 0.00 0.00 +0.127 C ATOM 29 N LIG 1 4.064 1.510 0.084 0.00 0.00 -0.295 N ATOM 30 C LIG 1 5.186 1.998 0.755 0.00 0.00 +0.247 C ATOM 31 O LIG 1 6.069 2.659 0.214 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 3.436 0.231 0.439 0.00 0.00 +0.127 C ATOM 33 C LIG 1 1.986 0.137 -0.053 0.00 0.00 +0.126 C ATOM 34 O LIG 1 0.547 0.622 -3.355 0.00 0.00 -0.276 OA BRANCH 30 35 ATOM 35 C LIG 1 5.321 1.740 2.208 0.00 0.00 +0.040 A ATOM 36 C LIG 1 6.560 1.312 2.700 0.00 0.00 +0.059 A ATOM 37 C LIG 1 6.717 1.094 4.069 0.00 0.00 +0.128 A ATOM 38 C LIG 1 5.648 1.311 4.944 0.00 0.00 +0.056 A ATOM 39 C LIG 1 4.418 1.767 4.450 0.00 0.00 +0.015 A ATOM 40 C LIG 1 4.257 1.993 3.082 0.00 0.00 +0.014 A BRANCH 37 41 ATOM 41 O LIG 1 7.921 0.668 4.555 0.00 0.00 -0.506 OA ATOM 42 H LIG 1 8.572 0.642 3.831 0.00 0.00 +0.292 HD ENDBRANCH 37 41 BRANCH 38 43 ATOM 43 C LIG 1 5.802 1.074 6.394 0.00 0.00 +0.262 C ATOM 44 O LIG 1 4.866 1.226 7.171 0.00 0.00 -0.296 OA ENDBRANCH 38 43 ENDBRANCH 30 35 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 6