REMARK Name = BDB004926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.317 -1.156 2.022 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.129 -1.420 1.326 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.027 -1.857 1.996 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.985 -2.017 3.385 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.192 -1.754 4.085 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.336 -1.325 3.406 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.703 -0.464 1.719 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.423 -0.718 1.264 0.00 0.00 -0.281 N ATOM 9 H LIG 1 2.266 -0.652 0.266 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.133 -0.627 2.854 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 6.485 0.937 -1.212 0.00 0.00 +0.088 A ATOM 12 C LIG 1 5.161 1.382 -1.267 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.242 0.934 -0.314 0.00 0.00 +0.015 A ATOM 14 C LIG 1 4.649 0.030 0.679 0.00 0.00 +0.037 A ATOM 15 C LIG 1 5.980 -0.407 0.726 0.00 0.00 +0.015 A ATOM 16 C LIG 1 6.899 0.035 -0.227 0.00 0.00 +0.027 A BRANCH 11 18 ATOM 17 C LIG 1 8.474 2.843 -1.631 0.00 0.00 +0.200 C ATOM 18 S LIG 1 7.653 1.491 -2.433 0.00 0.00 -0.006 S ATOM 19 O LIG 1 8.614 0.422 -2.627 0.00 0.00 -0.170 OA ATOM 20 O LIG 1 6.895 2.022 -3.550 0.00 0.00 -0.170 OA ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 21 ATOM 21 C LIG 1 -2.298 -2.122 1.222 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.837 -0.845 0.767 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.967 -0.213 1.552 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -4.044 -0.931 0.040 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.656 0.251 -0.428 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.864 0.098 -1.136 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -6.501 1.270 -1.599 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.945 2.545 -1.373 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -4.748 2.682 -0.689 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -6.374 -1.135 -1.356 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.693 -2.189 -0.893 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -4.108 1.543 -0.222 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -4.553 -2.147 -0.207 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -7.792 1.258 -2.357 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -8.313 2.295 -2.755 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -8.392 0.059 -2.604 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -9.253 0.040 -3.130 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -7.963 -0.811 -2.302 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7