REMARK Name = BDB017741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.371 0.768 -2.038 0.00 0.00 -0.287 N ATOM 2 C LIG 1 0.041 0.654 -1.615 0.00 0.00 +0.071 A ATOM 3 C LIG 1 -0.124 1.455 -0.476 0.00 0.00 +0.079 A ATOM 4 C LIG 1 -1.351 1.541 0.155 0.00 0.00 +0.057 A ATOM 5 C LIG 1 -2.402 0.775 -0.368 0.00 0.00 +0.107 A ATOM 6 C LIG 1 -2.235 -0.022 -1.518 0.00 0.00 +0.030 A ATOM 7 N LIG 1 1.120 2.057 -0.196 0.00 0.00 -0.237 N ATOM 8 C LIG 1 -0.994 -0.086 -2.156 0.00 0.00 +0.030 A ATOM 9 C LIG 1 2.067 1.639 -1.164 0.00 0.00 +0.337 A ATOM 10 O LIG 1 3.249 1.927 -1.276 0.00 0.00 -0.246 OA ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.347 2.870 0.892 0.00 0.00 +0.204 A ATOM 12 S LIG 1 2.882 3.595 1.144 0.00 0.00 -0.033 S ATOM 13 C LIG 1 2.250 4.312 2.565 0.00 0.00 +0.101 A ATOM 14 C LIG 1 3.091 5.189 3.417 0.00 0.00 +0.075 C ATOM 15 N LIG 1 0.993 4.009 2.803 0.00 0.00 -0.145 NA ATOM 16 N LIG 1 0.474 3.179 1.832 0.00 0.00 -0.123 NA ENDBRANCH 7 11 BRANCH 5 17 ATOM 17 S LIG 1 -3.994 0.860 0.423 0.00 0.00 +0.059 S ATOM 18 O LIG 1 -4.220 2.248 0.761 0.00 0.00 -0.153 OA ATOM 19 O LIG 1 -4.938 0.121 -0.388 0.00 0.00 -0.153 OA BRANCH 17 20 ATOM 20 N LIG 1 -3.763 0.041 1.874 0.00 0.00 -0.184 NA ATOM 21 H LIG 1 -3.587 0.670 2.658 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.162 -1.302 1.918 0.00 0.00 +0.037 C ATOM 23 C LIG 1 -2.584 -1.758 3.243 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -1.670 -1.463 2.093 0.00 0.00 +0.025 C ATOM 25 C LIG 1 -3.906 -2.352 1.128 0.00 0.00 +0.029 C ENDBRANCH 20 22 ENDBRANCH 17 20 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 C LIG 1 1.986 0.061 -3.134 0.00 0.00 +0.171 C BRANCH 26 30 ATOM 27 C LIG 1 3.792 -4.495 -1.067 0.00 0.00 +0.073 C ATOM 28 C LIG 1 3.066 -3.451 -1.838 0.00 0.00 +0.075 A ATOM 29 S LIG 1 3.449 -1.792 -1.612 0.00 0.00 -0.076 S ATOM 30 C LIG 1 2.251 -1.363 -2.765 0.00 0.00 +0.029 A ATOM 31 C LIG 1 1.661 -2.512 -3.253 0.00 0.00 +0.124 A ATOM 32 N LIG 1 2.118 -3.698 -2.717 0.00 0.00 -0.252 NA ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 6