REMARK Name = BDB020429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.344 1.148 2.102 0.00 0.00 +0.146 A ATOM 2 C LIG 1 -1.494 0.745 1.425 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -1.956 0.082 0.209 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -3.437 0.083 0.419 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -3.878 0.752 1.708 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -4.591 -0.209 2.662 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -4.680 2.033 1.457 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -4.181 -0.586 -0.521 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -5.521 -0.649 -0.297 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -5.948 0.144 0.144 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.663 -1.128 -1.496 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -2.535 1.095 2.224 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -2.018 1.677 3.323 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -2.484 2.058 4.140 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 -0.667 1.730 3.268 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 0.899 0.955 1.619 0.00 0.00 -0.324 N ATOM 17 H LIG 1 1.018 0.675 0.652 0.00 0.00 +0.148 HD BRANCH 16 20 ATOM 18 C LIG 1 3.741 0.593 0.571 0.00 0.00 +0.075 C ATOM 19 C LIG 1 3.281 0.601 2.037 0.00 0.00 +0.044 C ATOM 20 C LIG 1 2.072 1.510 2.288 0.00 0.00 +0.074 C ATOM 21 C LIG 1 2.331 2.957 1.827 0.00 0.00 +0.022 C ATOM 22 C LIG 1 3.524 3.104 0.879 0.00 0.00 +0.004 C ATOM 23 C LIG 1 3.583 1.959 -0.122 0.00 0.00 +0.022 C BRANCH 18 25 ATOM 24 C LIG 1 5.589 -0.489 -0.665 0.00 0.00 +0.244 C ATOM 25 N LIG 1 5.117 0.111 0.486 0.00 0.00 -0.308 N ATOM 26 H LIG 1 5.794 0.500 1.130 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 4.892 -0.705 -1.650 0.00 0.00 -0.270 OA BRANCH 24 31 ATOM 28 C LIG 1 9.756 -1.565 -0.799 0.00 0.00 +0.034 A ATOM 29 C LIG 1 9.057 -1.238 -1.962 0.00 0.00 +0.024 A ATOM 30 C LIG 1 7.703 -0.887 -1.902 0.00 0.00 +0.015 A ATOM 31 C LIG 1 7.033 -0.849 -0.676 0.00 0.00 +0.037 A ATOM 32 C LIG 1 7.723 -1.184 0.492 0.00 0.00 +0.015 A ATOM 33 C LIG 1 9.077 -1.536 0.428 0.00 0.00 +0.024 A BRANCH 28 35 ATOM 34 C LIG 1 11.979 -2.029 -1.847 0.00 0.00 +0.241 C ATOM 35 N LIG 1 11.116 -1.943 -0.774 0.00 0.00 -0.282 N ATOM 36 H LIG 1 11.486 -2.177 0.136 0.00 0.00 +0.155 HD ATOM 37 O LIG 1 11.736 -1.763 -3.017 0.00 0.00 -0.271 OA BRANCH 34 39 ATOM 38 C LIG 1 14.305 -2.666 -2.337 0.00 0.00 +0.013 C ATOM 39 C LIG 1 13.333 -2.502 -1.432 0.00 0.00 +0.060 C ENDBRANCH 34 39 ENDBRANCH 28 35 ENDBRANCH 24 31 ENDBRANCH 18 25 ENDBRANCH 16 20 ENDBRANCH 1 16 BRANCH 9 40 ATOM 40 C LIG 1 -6.411 -1.331 -1.224 0.00 0.00 +0.119 C BRANCH 40 41 ATOM 41 C LIG 1 -7.628 -1.826 -0.451 0.00 0.00 -0.026 A ATOM 42 C LIG 1 -7.620 -3.135 0.066 0.00 0.00 +0.005 A ATOM 43 C LIG 1 -8.698 -3.620 0.810 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -9.797 -2.804 1.059 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -9.815 -1.499 0.571 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -8.735 -1.010 -0.170 0.00 0.00 +0.005 A ENDBRANCH 40 41 BRANCH 40 47 ATOM 47 C LIG 1 -6.733 -0.491 -2.507 0.00 0.00 +0.111 C BRANCH 47 48 ATOM 48 N LIG 1 -7.130 0.926 -2.273 0.00 0.00 -0.306 NA ATOM 49 C LIG 1 -8.181 1.312 -3.222 0.00 0.00 +0.104 C ATOM 50 C LIG 1 -5.986 1.831 -2.448 0.00 0.00 +0.104 C ENDBRANCH 47 48 ENDBRANCH 40 47 ENDBRANCH 9 40 TORSDOF 10