REMARK Name = BDB034323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.764 -0.277 -0.440 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.681 0.615 -0.385 0.00 0.00 +0.037 A ATOM 3 C LIG 1 0.360 0.193 -0.282 0.00 0.00 +0.073 A ATOM 4 C LIG 1 0.075 -1.191 -0.245 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -1.291 -1.595 -0.160 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -2.256 -0.594 -0.033 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -1.867 0.731 -0.080 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.163 -2.095 -0.283 0.00 0.00 +0.012 A ATOM 9 N LIG 1 -0.592 1.135 -0.213 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.482 -1.644 -0.383 0.00 0.00 +0.009 A ENDROOT BRANCH 1 14 ATOM 11 C LIG 1 6.849 1.146 -0.706 0.00 0.00 -0.042 A ATOM 12 C LIG 1 6.338 0.201 -1.614 0.00 0.00 +0.005 A ATOM 13 C LIG 1 5.017 -0.258 -1.531 0.00 0.00 +0.009 A ATOM 14 C LIG 1 4.150 0.210 -0.536 0.00 0.00 -0.018 A ATOM 15 C LIG 1 4.653 1.154 0.368 0.00 0.00 +0.009 A ATOM 16 C LIG 1 5.975 1.612 0.286 0.00 0.00 +0.005 A BRANCH 11 18 ATOM 17 C LIG 1 9.261 0.419 -0.677 0.00 0.00 +0.015 C ATOM 18 C LIG 1 8.307 1.623 -0.825 0.00 0.00 -0.013 C ATOM 19 C LIG 1 8.529 2.280 -2.204 0.00 0.00 +0.015 C ATOM 20 C LIG 1 8.714 2.660 0.246 0.00 0.00 +0.015 C ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 5 21 ATOM 21 N LIG 1 -1.613 -2.966 -0.109 0.00 0.00 -0.343 N ATOM 22 H LIG 1 -1.034 -3.489 -0.762 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.997 -3.435 -0.108 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 -3.531 -3.510 1.324 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 -5.034 -3.806 1.384 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 -5.882 -2.694 0.955 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 -5.501 -2.237 0.129 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 -6.066 -1.692 2.008 0.00 0.00 +0.116 C BRANCH 28 29 ATOM 29 C LIG 1 -6.608 -0.401 1.436 0.00 0.00 -0.033 A ATOM 30 C LIG 1 -5.843 0.779 1.510 0.00 0.00 +0.015 A ATOM 31 C LIG 1 -6.345 1.976 0.961 0.00 0.00 -0.000 A ATOM 32 C LIG 1 -7.601 1.963 0.357 0.00 0.00 +0.046 A ATOM 33 N LIG 1 -7.852 3.243 -0.085 0.00 0.00 -0.361 N ATOM 34 H LIG 1 -8.697 3.529 -0.561 0.00 0.00 +0.165 HD ATOM 35 C LIG 1 -6.796 4.063 0.214 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -8.386 0.808 0.273 0.00 0.00 +0.026 A ATOM 37 C LIG 1 -5.847 3.306 0.864 0.00 0.00 +0.027 A ATOM 38 C LIG 1 -7.866 -0.370 0.821 0.00 0.00 +0.007 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 5 21 TORSDOF 9