REMARK Name = BDB005060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.414 0.098 3.273 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -0.453 0.123 2.169 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.622 -0.650 2.143 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.925 -1.449 3.244 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -1.067 -1.489 4.347 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.098 -0.726 4.361 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.426 -0.555 0.989 0.00 0.00 -0.281 N ATOM 8 H LIG 1 -2.072 0.045 0.259 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 -3.571 -1.271 0.693 0.00 0.00 +0.252 C ATOM 10 O LIG 1 -4.040 -2.181 1.365 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 -4.198 -0.894 -0.569 0.00 0.00 +0.079 A ATOM 12 C LIG 1 -4.214 0.319 -1.246 0.00 0.00 +0.065 A ATOM 13 C LIG 1 -3.647 1.666 -0.973 0.00 0.00 +0.137 C ATOM 14 N LIG 1 -4.349 2.723 -1.705 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -5.279 2.834 -1.298 0.00 0.00 +0.122 HD ATOM 16 C LIG 1 -4.475 2.375 -3.130 0.00 0.00 +0.104 C ATOM 17 C LIG 1 -5.306 1.111 -3.353 0.00 0.00 +0.159 C ATOM 18 N LIG 1 -4.954 0.097 -2.378 0.00 0.00 -0.265 N ATOM 19 N LIG 1 -5.449 -1.144 -2.479 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 -5.006 -1.741 -1.369 0.00 0.00 +0.147 A ENDBRANCH 9 11 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 C LIG 1 1.688 0.912 3.269 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.757 0.181 2.597 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.618 -0.822 2.687 0.00 0.00 +0.148 HD BRANCH 22 27 ATOM 24 C LIG 1 5.262 -0.553 -1.487 0.00 0.00 +0.063 A ATOM 25 C LIG 1 4.265 0.151 -0.779 0.00 0.00 +0.088 A ATOM 26 C LIG 1 4.040 -0.209 0.565 0.00 0.00 +0.041 A ATOM 27 C LIG 1 3.026 0.495 1.250 0.00 0.00 +0.130 A ATOM 28 N LIG 1 2.337 1.491 0.672 0.00 0.00 -0.220 NA ATOM 29 C LIG 1 2.635 1.770 -0.595 0.00 0.00 +0.223 A ATOM 30 C LIG 1 4.821 -1.229 1.166 0.00 0.00 +0.013 A ATOM 31 C LIG 1 5.799 -1.908 0.453 0.00 0.00 +0.002 A ATOM 32 N LIG 1 3.545 1.145 -1.348 0.00 0.00 -0.235 NA ATOM 33 C LIG 1 6.015 -1.573 -0.874 0.00 0.00 +0.015 A BRANCH 24 37 ATOM 34 N LIG 1 4.919 0.701 -3.575 0.00 0.00 -0.325 N ATOM 35 H LIG 1 4.207 1.248 -3.101 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 5.153 0.901 -4.537 0.00 0.00 +0.145 HD ATOM 37 C LIG 1 5.601 -0.280 -2.920 0.00 0.00 +0.244 C ATOM 38 O LIG 1 6.471 -0.914 -3.507 0.00 0.00 -0.270 OA ENDBRANCH 24 37 ENDBRANCH 22 27 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6