REMARK Name = LIG001903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.573 0.610 3.097 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -3.449 0.261 1.648 0.00 0.00 -0.008 A ATOM 3 C LIG 1 -3.242 1.110 0.570 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.060 2.593 0.712 0.00 0.00 +0.045 C ATOM 5 C LIG 1 -3.229 0.378 -0.693 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -3.187 0.971 -2.035 0.00 0.00 +0.076 C ATOM 7 N LIG 1 -2.439 0.541 -2.985 0.00 0.00 -0.271 NA ATOM 8 C LIG 1 -1.550 -0.624 -2.906 0.00 0.00 +0.183 C ATOM 9 C LIG 1 -2.294 -1.869 -2.532 0.00 0.00 +0.163 A ATOM 10 N LIG 1 -3.066 -2.003 -1.387 0.00 0.00 -0.275 N ATOM 11 C LIG 1 -3.470 -3.334 -1.412 0.00 0.00 +0.135 A ATOM 12 C LIG 1 -4.394 -3.997 -0.460 0.00 0.00 +0.088 C ATOM 13 N LIG 1 -2.976 -3.927 -2.478 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -2.248 -3.014 -3.178 0.00 0.00 -0.132 NA ATOM 15 C LIG 1 -3.278 -0.983 -0.453 0.00 0.00 +0.097 A ATOM 16 S LIG 1 -3.532 -1.371 1.170 0.00 0.00 -0.075 S ENDROOT BRANCH 6 17 ATOM 17 C LIG 1 -4.087 2.129 -2.332 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -5.375 2.209 -1.783 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -6.199 3.296 -2.089 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -5.744 4.292 -2.952 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -6.760 5.629 -3.322 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -4.474 4.210 -3.519 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -3.647 3.125 -3.215 0.00 0.00 +0.011 A ENDBRANCH 6 17 BRANCH 8 24 ATOM 24 C LIG 1 -0.334 -0.335 -2.017 0.00 0.00 +0.130 C BRANCH 24 25 ATOM 25 C LIG 1 0.862 -1.210 -2.354 0.00 0.00 +0.218 C ATOM 26 N LIG 1 1.840 -1.336 -1.375 0.00 0.00 -0.298 N ATOM 27 C LIG 1 2.956 -2.256 -1.622 0.00 0.00 +0.126 C ATOM 28 C LIG 1 3.567 -2.800 -0.326 0.00 0.00 +0.127 C ATOM 29 N LIG 1 3.980 -1.737 0.595 0.00 0.00 -0.295 N ATOM 30 C LIG 1 4.862 -2.072 1.617 0.00 0.00 +0.247 C ATOM 31 O LIG 1 5.229 -3.223 1.841 0.00 0.00 -0.270 OA ATOM 32 C LIG 1 3.267 -0.458 0.486 0.00 0.00 +0.127 C ATOM 33 C LIG 1 1.855 -0.609 -0.102 0.00 0.00 +0.126 C ATOM 34 O LIG 1 0.988 -1.742 -3.456 0.00 0.00 -0.276 OA BRANCH 30 35 ATOM 35 C LIG 1 5.392 -1.002 2.492 0.00 0.00 +0.037 A ATOM 36 C LIG 1 6.036 0.117 1.948 0.00 0.00 +0.015 A ATOM 37 C LIG 1 6.547 1.102 2.795 0.00 0.00 +0.030 A ATOM 38 C LIG 1 6.417 0.950 4.180 0.00 0.00 +0.122 A ATOM 39 C LIG 1 5.809 -0.182 4.732 0.00 0.00 +0.030 A ATOM 40 C LIG 1 5.298 -1.163 3.881 0.00 0.00 +0.015 A BRANCH 38 41 ATOM 41 S LIG 1 7.088 2.182 5.260 0.00 0.00 +0.147 S ATOM 42 F LIG 1 7.513 1.432 6.598 0.00 0.00 -0.056 F ATOM 43 O LIG 1 6.000 3.065 5.625 0.00 0.00 -0.138 OA ATOM 44 O LIG 1 8.322 2.664 4.677 0.00 0.00 -0.138 OA ENDBRANCH 38 41 ENDBRANCH 30 35 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 5