REMARK Name = BDB022406 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.665 0.488 -1.839 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -0.296 0.787 -1.722 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.568 0.764 -2.832 0.00 0.00 -0.018 A ATOM 4 C LIG 1 0.023 0.441 -4.083 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.334 0.142 -4.220 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.171 0.163 -3.105 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 2.003 1.058 -2.679 0.00 0.00 -0.018 A ATOM 8 C LIG 1 2.648 1.996 -3.496 0.00 0.00 +0.010 A ATOM 9 C LIG 1 4.013 2.268 -3.343 0.00 0.00 +0.024 A ATOM 10 C LIG 1 4.767 1.625 -2.357 0.00 0.00 +0.034 A ATOM 11 C LIG 1 4.142 0.668 -1.558 0.00 0.00 +0.024 A ATOM 12 C LIG 1 2.776 0.395 -1.713 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 6.133 1.951 -2.286 0.00 0.00 -0.282 N ATOM 14 H LIG 1 6.529 2.398 -3.105 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 7.095 1.707 -1.348 0.00 0.00 +0.241 C ATOM 16 O LIG 1 8.282 1.844 -1.642 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 6.689 1.381 0.037 0.00 0.00 +0.064 C ATOM 18 C LIG 1 7.506 0.672 0.833 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 7.196 0.336 2.263 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 7.055 -1.090 2.567 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 5.942 -1.714 1.858 0.00 0.00 +0.104 C ATOM 22 C LIG 1 8.292 -1.842 2.383 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -2.603 1.887 0.042 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -2.602 0.511 -0.629 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 -2.275 -0.574 0.407 0.00 0.00 +0.225 C ATOM 26 N LIG 1 -3.224 -1.088 1.240 0.00 0.00 -0.268 N ATOM 27 H LIG 1 -2.853 -1.784 1.872 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 -1.125 -1.006 0.565 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.569 -0.826 1.346 0.00 0.00 +0.147 A ATOM 30 N LIG 1 -5.259 0.047 0.612 0.00 0.00 -0.158 NA ATOM 31 N LIG 1 -6.517 -0.040 1.069 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -7.226 0.548 0.643 0.00 0.00 +0.189 HD ATOM 33 C LIG 1 -6.659 -0.943 2.077 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.411 -1.476 2.284 0.00 0.00 +0.068 A BRANCH 33 35 ATOM 35 C LIG 1 -7.959 -1.319 2.848 0.00 0.00 +0.037 C ATOM 36 C LIG 1 -8.830 -2.387 2.144 0.00 0.00 +0.010 C ATOM 37 C LIG 1 -9.687 -1.245 1.566 0.00 0.00 +0.001 C ATOM 38 C LIG 1 -9.153 -0.347 2.699 0.00 0.00 +0.010 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9