REMARK Name = BDB022403 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.383 1.902 0.985 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.025 1.738 0.653 0.00 0.00 +0.013 A ATOM 3 C LIG 1 1.004 2.424 1.335 0.00 0.00 -0.016 A ATOM 4 C LIG 1 1.377 3.301 2.365 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.718 3.479 2.708 0.00 0.00 +0.001 A ATOM 6 C LIG 1 3.713 2.782 2.025 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.409 2.219 0.987 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -0.964 0.947 0.864 0.00 0.00 +0.121 A ATOM 9 N LIG 1 -2.258 0.689 0.545 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 -3.068 1.747 0.336 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -2.620 3.055 0.431 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -1.281 3.288 0.759 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 -4.375 1.384 0.013 0.00 0.00 -0.267 N ATOM 14 H LIG 1 -4.493 0.381 0.001 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 -5.448 2.199 -0.214 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -5.485 3.421 -0.126 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 -6.709 1.479 -0.538 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -6.780 0.324 -1.219 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -8.069 -0.361 -1.564 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -8.060 -1.753 -1.107 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 -9.102 -2.533 -1.812 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -9.499 -3.794 -1.031 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -10.108 -3.489 0.231 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -9.642 -2.256 0.797 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -8.215 -1.888 0.360 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 4.463 1.468 -1.255 0.00 0.00 +0.022 C ATOM 27 C LIG 1 4.491 1.152 0.243 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 4.437 -0.367 0.459 0.00 0.00 +0.225 C ATOM 29 N LIG 1 5.549 -1.151 0.365 0.00 0.00 -0.268 N ATOM 30 H LIG 1 5.350 -2.130 0.519 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 3.374 -0.960 0.687 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 6.862 -0.829 0.115 0.00 0.00 +0.147 A ATOM 33 N LIG 1 7.340 0.395 -0.108 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 8.656 0.215 -0.303 0.00 0.00 -0.280 N ATOM 35 H LIG 1 9.232 1.027 -0.495 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 9.042 -1.088 -0.210 0.00 0.00 +0.041 A ATOM 37 C LIG 1 7.898 -1.796 0.061 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 10.489 -1.612 -0.385 0.00 0.00 +0.037 C ATOM 39 C LIG 1 10.723 -2.948 -1.037 0.00 0.00 +0.010 C ATOM 40 C LIG 1 10.963 -2.781 0.436 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9