REMARK Name = LIG001900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.136 0.914 -0.847 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -2.425 0.871 -2.038 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -2.659 1.452 -3.079 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.302 -0.048 -1.827 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -1.421 -0.594 -0.555 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -0.487 -1.510 -0.098 0.00 0.00 +0.028 A ATOM 7 C LIG 1 0.602 -1.857 -0.921 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.665 -1.316 -2.225 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -0.283 -0.394 -2.687 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.646 -0.067 0.112 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.076 3.138 -1.852 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -6.967 2.692 -1.573 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -6.675 1.363 -1.749 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.412 0.796 -2.145 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -5.548 0.684 -1.344 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.505 -0.543 -1.415 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -4.447 1.536 -0.693 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -4.508 2.975 -1.202 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -5.894 3.545 -0.937 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 N LIG 1 1.506 -2.822 -0.455 0.00 0.00 -0.340 N ATOM 21 H LIG 1 1.412 -2.963 0.548 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 2.917 -2.741 -0.825 0.00 0.00 +0.137 C BRANCH 22 23 ATOM 23 C LIG 1 3.658 -1.814 0.111 0.00 0.00 -0.030 A ATOM 24 C LIG 1 4.220 -2.304 1.301 0.00 0.00 +0.013 A ATOM 25 C LIG 1 4.892 -1.452 2.195 0.00 0.00 -0.018 A ATOM 26 C LIG 1 4.996 -0.076 1.892 0.00 0.00 -0.018 A ATOM 27 C LIG 1 5.667 0.776 2.785 0.00 0.00 +0.008 A ATOM 28 C LIG 1 6.227 0.277 3.962 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.124 -1.079 4.261 0.00 0.00 +0.001 A ATOM 30 C LIG 1 4.426 0.411 0.707 0.00 0.00 +0.009 A ATOM 31 C LIG 1 5.460 -1.938 3.383 0.00 0.00 +0.008 A ATOM 32 C LIG 1 3.762 -0.447 -0.173 0.00 0.00 +0.006 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 7 20 TORSDOF 4