REMARK Name = BDB018642 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.643 -0.489 0.490 0.00 0.00 +0.222 A ATOM 2 N LIG 1 -1.921 -0.122 0.289 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -2.918 -0.900 0.750 0.00 0.00 +0.132 A ATOM 4 C LIG 1 -2.624 -2.054 1.449 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.298 -2.362 1.617 0.00 0.00 +0.118 A ATOM 6 N LIG 1 -0.300 -1.603 1.146 0.00 0.00 -0.223 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -4.237 -0.510 0.524 0.00 0.00 -0.262 N ATOM 8 C LIG 1 -4.658 0.901 0.536 0.00 0.00 +0.062 C ATOM 9 C LIG 1 -4.034 1.767 1.657 0.00 0.00 +0.028 C ATOM 10 C LIG 1 -3.058 2.821 1.136 0.00 0.00 +0.002 C ATOM 11 C LIG 1 -3.696 3.739 0.096 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -4.669 3.033 -0.847 0.00 0.00 +0.002 C ATOM 13 C LIG 1 -4.482 1.519 -0.869 0.00 0.00 +0.028 C ATOM 14 C LIG 1 -6.174 0.684 0.854 0.00 0.00 +0.170 C ATOM 15 N LIG 1 -6.513 -0.716 0.478 0.00 0.00 -0.266 NA ATOM 16 C LIG 1 -5.349 -1.306 0.329 0.00 0.00 +0.129 C BRANCH 16 17 ATOM 17 C LIG 1 -5.327 -2.728 -0.102 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -6.255 -3.620 0.444 0.00 0.00 +0.011 A ATOM 19 C LIG 1 -6.250 -4.958 0.048 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -5.327 -5.401 -0.901 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.417 -4.506 -1.464 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.419 -3.167 -1.072 0.00 0.00 +0.011 A ENDBRANCH 16 17 ENDBRANCH 3 7 BRANCH 1 23 ATOM 23 N LIG 1 0.305 0.371 -0.030 0.00 0.00 -0.268 N ATOM 24 H LIG 1 -0.109 1.162 -0.497 0.00 0.00 +0.156 HD BRANCH 23 28 ATOM 25 C LIG 1 4.491 0.658 -0.218 0.00 0.00 +0.048 A ATOM 26 C LIG 1 3.573 1.564 -0.752 0.00 0.00 +0.136 A ATOM 27 N LIG 1 2.216 1.468 -0.689 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 1.685 0.404 -0.056 0.00 0.00 +0.125 A ATOM 29 C LIG 1 2.505 -0.558 0.511 0.00 0.00 +0.045 A ATOM 30 C LIG 1 3.898 -0.427 0.427 0.00 0.00 +0.028 A BRANCH 25 35 ATOM 31 C LIG 1 9.928 0.328 -0.726 0.00 0.00 +0.105 C ATOM 32 N LIG 1 8.826 1.248 -0.459 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 7.912 1.314 -1.620 0.00 0.00 +0.103 C ATOM 34 C LIG 1 6.472 1.753 -1.267 0.00 0.00 +0.120 C ATOM 35 N LIG 1 5.861 0.805 -0.319 0.00 0.00 -0.326 N ATOM 36 C LIG 1 6.785 0.102 0.589 0.00 0.00 +0.120 C ATOM 37 C LIG 1 8.101 0.894 0.779 0.00 0.00 +0.103 C ENDBRANCH 25 35 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 5