REMARK Name = BDB041097 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.731 -0.484 -0.765 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.690 -0.237 -1.234 0.00 0.00 -0.030 A ATOM 3 C LIG 1 1.514 0.682 -0.557 0.00 0.00 +0.011 A ATOM 4 C LIG 1 2.803 0.882 -1.022 0.00 0.00 -0.018 A ATOM 5 C LIG 1 3.863 1.806 -0.524 0.00 0.00 +0.144 C ATOM 6 N LIG 1 5.017 1.455 -1.350 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.649 0.605 -2.389 0.00 0.00 +0.248 C ATOM 8 O LIG 1 5.309 0.256 -3.347 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 3.265 0.189 -2.137 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.486 -0.713 -2.833 0.00 0.00 +0.014 A ATOM 11 C LIG 1 1.186 -0.925 -2.370 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 6.240 2.265 -1.390 0.00 0.00 +0.163 C ATOM 13 C LIG 1 6.378 3.171 -0.156 0.00 0.00 +0.240 C ATOM 14 O LIG 1 5.696 4.183 0.008 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 7.194 2.722 0.855 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.203 3.283 1.696 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.788 1.490 0.961 0.00 0.00 +0.219 C ATOM 18 O LIG 1 8.275 1.117 2.025 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.746 0.608 -0.262 0.00 0.00 +0.098 C ATOM 20 C LIG 1 7.521 1.431 -1.522 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 N LIG 1 -0.878 -1.884 -0.401 0.00 0.00 -0.322 N ATOM 22 H LIG 1 -0.145 -2.216 0.220 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -2.285 -3.483 0.733 0.00 0.00 +0.178 A ATOM 24 C LIG 1 -2.131 -2.223 0.151 0.00 0.00 +0.165 A ATOM 25 N LIG 1 -3.157 -1.358 0.035 0.00 0.00 -0.209 NA ATOM 26 C LIG 1 -4.350 -1.737 0.527 0.00 0.00 +0.162 A ATOM 27 N LIG 1 -4.599 -2.928 1.102 0.00 0.00 -0.232 NA ATOM 28 C LIG 1 -3.552 -3.772 1.194 0.00 0.00 +0.162 A BRANCH 26 29 ATOM 29 C LIG 1 -5.484 -0.807 0.383 0.00 0.00 +0.023 A ATOM 30 C LIG 1 -5.443 0.560 0.768 0.00 0.00 -0.034 A ATOM 31 C LIG 1 -6.574 1.371 0.523 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.734 0.852 -0.050 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.792 -0.490 -0.396 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.680 -1.305 -0.183 0.00 0.00 +0.012 A BRANCH 30 35 ATOM 35 C LIG 1 -4.221 1.182 1.442 0.00 0.00 +0.014 C ATOM 36 C LIG 1 -4.574 1.929 2.735 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -3.478 2.104 0.472 0.00 0.00 +0.012 C ENDBRANCH 30 35 ENDBRANCH 26 29 BRANCH 23 39 ATOM 38 C LIG 1 -1.397 -5.620 1.266 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -1.182 -4.287 0.821 0.00 0.00 -0.490 OA ENDBRANCH 23 39 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 7