REMARK Name = BDB017430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.919 1.771 1.379 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.774 2.578 0.236 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.544 2.581 -0.435 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.445 1.843 -0.015 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.583 2.128 -0.972 0.00 0.00 +0.102 A ATOM 6 N LIG 1 -0.128 2.954 -1.930 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.579 1.048 1.137 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.130 3.233 -1.561 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.666 3.874 -2.135 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.806 1.034 1.818 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.825 -2.612 0.166 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.050 -1.256 0.431 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.664 -0.896 1.625 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.038 0.429 2.231 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.228 1.707 2.133 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.703 0.060 3.537 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.671 -1.320 3.634 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.058 -1.821 4.419 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.170 0.852 4.338 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.544 1.567 1.393 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.066 -1.901 2.518 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.876 -3.245 2.282 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.245 -3.594 1.086 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 2.611 -2.166 -1.829 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.213 -3.112 -0.953 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -1.953 1.631 -1.012 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -2.571 1.335 -2.219 0.00 0.00 +0.123 A ATOM 28 N LIG 1 -3.836 0.854 -2.341 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 -4.562 0.651 -1.221 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -4.023 0.962 0.029 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -2.716 1.449 0.136 0.00 0.00 +0.015 A BRANCH 29 32 ATOM 32 N LIG 1 -5.866 0.182 -1.338 0.00 0.00 -0.311 N ATOM 33 C LIG 1 -6.377 0.048 -2.712 0.00 0.00 +0.134 C ATOM 34 C LIG 1 -7.833 -0.440 -2.666 0.00 0.00 +0.178 C ATOM 35 O LIG 1 -8.002 -1.717 -2.027 0.00 0.00 -0.377 OA ATOM 36 C LIG 1 -6.922 -2.055 -1.145 0.00 0.00 +0.178 C ATOM 37 C LIG 1 -6.337 -0.847 -0.394 0.00 0.00 +0.134 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4