REMARK Name = BDB022454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.249 -1.492 -0.490 0.00 0.00 -0.018 A ATOM 2 C LIG 1 -0.105 -1.521 -1.308 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.823 -2.575 -1.235 0.00 0.00 -0.035 A ATOM 4 C LIG 1 0.588 -3.622 -0.334 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.544 -3.614 0.479 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.452 -2.558 0.402 0.00 0.00 +0.008 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.112 1.743 -0.625 0.00 0.00 +0.040 A ATOM 8 C LIG 1 -3.756 1.049 -1.808 0.00 0.00 -0.028 A ATOM 9 C LIG 1 -4.389 1.353 -3.143 0.00 0.00 +0.046 C ATOM 10 C LIG 1 -2.812 0.004 -1.753 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -2.204 -0.373 -0.551 0.00 0.00 -0.017 A ATOM 12 C LIG 1 -2.528 0.357 0.599 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -3.444 1.432 0.578 0.00 0.00 -0.028 A ATOM 14 C LIG 1 -3.599 2.197 1.867 0.00 0.00 +0.046 C BRANCH 7 16 ATOM 15 C LIG 1 -6.087 3.027 0.195 0.00 0.00 +0.241 C ATOM 16 N LIG 1 -5.097 2.759 -0.732 0.00 0.00 -0.282 N ATOM 17 H LIG 1 -5.276 3.103 -1.665 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -6.327 2.401 1.219 0.00 0.00 -0.271 OA BRANCH 15 20 ATOM 19 C LIG 1 -7.974 4.571 0.531 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -6.942 4.176 -0.226 0.00 0.00 +0.060 C ENDBRANCH 15 20 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 3 21 ATOM 21 C LIG 1 2.069 -2.563 -2.110 0.00 0.00 +0.102 C ATOM 22 C LIG 1 1.991 -3.657 -3.175 0.00 0.00 +0.022 C BRANCH 21 23 ATOM 23 C LIG 1 3.355 -2.671 -1.269 0.00 0.00 +0.225 C ATOM 24 N LIG 1 3.499 -1.583 -0.420 0.00 0.00 -0.268 N ATOM 25 H LIG 1 2.743 -0.914 -0.364 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 4.115 -3.629 -1.383 0.00 0.00 -0.275 OA BRANCH 24 27 ATOM 27 C LIG 1 4.552 -1.372 0.443 0.00 0.00 +0.147 A ATOM 28 N LIG 1 5.652 -2.123 0.529 0.00 0.00 -0.158 NA ATOM 29 N LIG 1 6.385 -1.544 1.490 0.00 0.00 -0.280 N ATOM 30 H LIG 1 7.279 -1.958 1.732 0.00 0.00 +0.189 HD ATOM 31 C LIG 1 5.803 -0.428 2.006 0.00 0.00 +0.041 A ATOM 32 C LIG 1 4.602 -0.287 1.356 0.00 0.00 +0.068 A BRANCH 31 33 ATOM 33 C LIG 1 6.380 0.496 3.098 0.00 0.00 +0.037 C ATOM 34 C LIG 1 7.824 0.922 3.008 0.00 0.00 +0.010 C ATOM 35 C LIG 1 6.731 1.914 2.722 0.00 0.00 +0.010 C ENDBRANCH 31 33 ENDBRANCH 24 27 ENDBRANCH 21 23 ENDBRANCH 3 21 TORSDOF 7