REMARK Name = BDB016695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.121 -2.125 -1.769 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.426 -1.578 -2.864 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -1.113 -1.130 -2.673 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.448 -1.216 -1.457 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.849 -0.657 -1.701 0.00 0.00 +0.100 A ATOM 6 N LIG 1 0.956 -0.231 -2.972 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.134 -1.768 -0.361 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.222 -0.547 -3.528 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.363 -0.327 -4.507 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.451 -2.221 -0.537 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.045 1.246 0.838 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.883 0.335 -0.217 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.619 -0.841 -0.223 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.700 -2.006 -1.169 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.538 -2.631 -1.913 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.759 -2.897 -0.562 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.180 -2.289 0.608 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.892 -2.686 1.201 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -7.151 -3.951 -1.034 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.584 -1.824 -2.655 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.524 -1.076 0.822 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.712 -0.204 1.873 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.956 0.973 1.875 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.335 3.302 1.805 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.264 2.365 0.738 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 1.966 -0.510 -0.768 0.00 0.00 +0.003 A ATOM 27 C LIG 1 2.290 -1.521 0.142 0.00 0.00 +0.013 A ATOM 28 C LIG 1 3.361 -1.357 1.027 0.00 0.00 +0.046 A ATOM 29 C LIG 1 4.130 -0.191 1.015 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.821 0.814 0.100 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.748 0.653 -0.787 0.00 0.00 +0.013 A BRANCH 29 32 ATOM 32 O LIG 1 5.144 -0.174 1.931 0.00 0.00 -0.491 OA BRANCH 32 33 ATOM 33 C LIG 1 5.982 0.984 2.009 0.00 0.00 +0.244 C BRANCH 33 34 ATOM 34 C LIG 1 7.132 0.895 0.989 0.00 0.00 +0.124 C BRANCH 34 35 ATOM 35 N LIG 1 8.110 1.997 1.093 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 7.545 3.268 0.633 0.00 0.00 +0.104 C ATOM 37 C LIG 1 9.303 1.677 0.304 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 7