REMARK Name = BDB022471 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.305 2.914 1.893 0.00 0.00 -0.036 A ATOM 2 C LIG 1 1.321 1.921 1.780 0.00 0.00 +0.008 A ATOM 3 C LIG 1 1.035 1.044 2.842 0.00 0.00 -0.044 A ATOM 4 C LIG 1 1.741 1.187 4.043 0.00 0.00 +0.004 A ATOM 5 C LIG 1 2.716 2.172 4.178 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.998 3.024 3.112 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.038 -0.093 2.691 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -1.370 0.398 2.306 0.00 0.00 +0.027 C ATOM 9 C LIG 1 -2.219 -0.746 1.759 0.00 0.00 +0.108 C ATOM 10 N LIG 1 -1.606 -1.380 0.587 0.00 0.00 -0.298 N ATOM 11 C LIG 1 -2.308 -2.022 -0.422 0.00 0.00 +0.239 C ATOM 12 O LIG 1 -1.797 -2.344 -1.492 0.00 0.00 -0.271 OA ATOM 13 C LIG 1 -0.170 -1.188 0.401 0.00 0.00 +0.108 C ATOM 14 C LIG 1 0.572 -1.177 1.732 0.00 0.00 +0.027 C BRANCH 11 15 ATOM 15 C LIG 1 -3.733 -2.337 -0.138 0.00 0.00 +0.064 C ATOM 16 C LIG 1 -4.606 -2.512 -1.145 0.00 0.00 -0.007 C BRANCH 16 17 ATOM 17 C LIG 1 -6.049 -2.875 -0.952 0.00 0.00 +0.111 C BRANCH 17 18 ATOM 18 N LIG 1 -7.023 -1.840 -1.308 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 -6.928 -0.658 -0.455 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -6.981 -1.475 -2.720 0.00 0.00 +0.104 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 11 15 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 1.635 4.100 -0.357 0.00 0.00 +0.022 C ATOM 22 C LIG 1 2.649 3.879 0.767 0.00 0.00 +0.102 C BRANCH 22 23 ATOM 23 C LIG 1 4.095 3.753 0.283 0.00 0.00 +0.225 C ATOM 24 N LIG 1 4.596 2.744 -0.472 0.00 0.00 -0.268 N ATOM 25 H LIG 1 5.590 2.854 -0.630 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 4.911 4.633 0.610 0.00 0.00 -0.275 OA BRANCH 24 27 ATOM 27 C LIG 1 4.037 1.614 -1.016 0.00 0.00 +0.147 A ATOM 28 N LIG 1 2.752 1.266 -0.986 0.00 0.00 -0.158 NA ATOM 29 N LIG 1 2.692 0.114 -1.676 0.00 0.00 -0.280 N ATOM 30 H LIG 1 1.790 -0.333 -1.808 0.00 0.00 +0.189 HD ATOM 31 C LIG 1 3.907 -0.308 -2.115 0.00 0.00 +0.041 A ATOM 32 C LIG 1 4.806 0.650 -1.725 0.00 0.00 +0.068 A BRANCH 31 33 ATOM 33 C LIG 1 4.196 -1.590 -2.922 0.00 0.00 +0.037 C ATOM 34 C LIG 1 3.778 -2.918 -2.348 0.00 0.00 +0.010 C ATOM 35 C LIG 1 5.234 -2.555 -2.410 0.00 0.00 +0.010 C ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 8