REMARK Name = BDB020704 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.059 -0.753 0.156 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.250 -1.175 -0.346 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.518 -2.661 -0.323 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -1.142 -0.218 -0.741 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.774 1.150 -0.553 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.447 1.562 0.014 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.464 2.947 0.109 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.743 3.403 -0.461 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -1.476 2.303 -0.834 0.00 0.00 +0.092 A ATOM 10 C LIG 1 1.381 0.538 0.333 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.593 3.850 0.734 0.00 0.00 +0.071 A ATOM 12 N LIG 1 1.705 5.223 0.682 0.00 0.00 -0.267 N ATOM 13 C LIG 1 0.865 6.170 -0.007 0.00 0.00 +0.173 C ATOM 14 N LIG 1 2.791 5.702 1.329 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 3.371 4.611 1.823 0.00 0.00 +0.135 A ATOM 16 C LIG 1 2.676 3.438 1.484 0.00 0.00 +0.049 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 2.655 -2.329 -0.671 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.226 -2.139 -1.566 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 2.170 -1.704 0.453 0.00 0.00 +0.245 C ATOM 20 O LIG 1 2.614 -1.847 1.583 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.744 -3.281 -0.607 0.00 0.00 +0.145 C BRANCH 21 27 ATOM 22 C LIG 1 7.691 -1.661 0.131 0.00 0.00 +0.195 A ATOM 23 N LIG 1 7.288 -2.882 0.576 0.00 0.00 -0.293 N ATOM 24 H LIG 1 7.937 -3.427 1.127 0.00 0.00 +0.172 HD ATOM 25 C LIG 1 6.071 -3.449 0.317 0.00 0.00 +0.256 A ATOM 26 O LIG 1 5.808 -4.588 0.691 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 5.093 -2.623 -0.477 0.00 0.00 +0.037 A ATOM 28 C LIG 1 5.522 -1.433 -0.964 0.00 0.00 -0.036 A ATOM 29 C LIG 1 4.738 -0.527 -1.871 0.00 0.00 +0.044 C ATOM 30 C LIG 1 6.854 -0.937 -0.629 0.00 0.00 +0.069 A BRANCH 22 32 ATOM 31 C LIG 1 9.470 -0.074 0.137 0.00 0.00 +0.278 C ATOM 32 O LIG 1 8.957 -1.339 0.536 0.00 0.00 -0.481 OA ENDBRANCH 22 32 ENDBRANCH 21 27 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 33 ATOM 33 C LIG 1 -2.490 -0.616 -1.375 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -2.938 0.155 -2.631 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -3.552 -0.857 -0.382 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 -3.954 0.288 0.433 0.00 0.00 +0.086 C ATOM 37 C LIG 1 -5.210 -0.017 1.251 0.00 0.00 +0.034 C ATOM 38 C LIG 1 -6.410 -0.237 0.310 0.00 0.00 +0.058 C ATOM 39 C LIG 1 -5.986 -0.947 -0.994 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -4.661 -1.694 -0.853 0.00 0.00 +0.086 C BRANCH 38 41 ATOM 41 N LIG 1 -7.609 -0.846 0.927 0.00 0.00 -0.305 NA ATOM 42 C LIG 1 -8.190 0.008 1.965 0.00 0.00 +0.104 C ATOM 43 C LIG 1 -7.407 -2.198 1.445 0.00 0.00 +0.104 C ENDBRANCH 38 41 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 8