REMARK Name = BDB010731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.701 -0.639 0.281 0.00 0.00 -0.305 N ATOM 2 C LIG 1 0.488 -0.977 0.903 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.078 -1.742 1.991 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.901 -2.301 2.890 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 2.186 -2.066 2.624 0.00 0.00 +0.221 A ATOM 6 N LIG 1 2.684 -1.347 1.600 0.00 0.00 -0.206 NA ATOM 7 N LIG 1 -1.273 -1.869 2.053 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 1.855 -0.768 0.707 0.00 0.00 +0.149 A ATOM 9 C LIG 1 -1.726 -1.226 1.009 0.00 0.00 +0.201 A ENDROOT BRANCH 9 10 ATOM 10 N LIG 1 -3.033 -1.095 0.647 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.640 -2.369 0.185 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.170 -2.261 0.220 0.00 0.00 +0.139 C ATOM 13 C LIG 1 -5.604 -3.489 -0.561 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -4.551 -3.620 -1.668 0.00 0.00 +0.004 C ATOM 15 O LIG 1 -5.682 -2.220 1.549 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 -4.781 -1.518 2.434 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -3.389 -2.693 -1.280 0.00 0.00 +0.025 C ATOM 18 C LIG 1 -3.883 -0.479 1.722 0.00 0.00 +0.136 C ENDBRANCH 9 10 BRANCH 5 19 ATOM 19 C LIG 1 3.178 -2.643 3.553 0.00 0.00 +0.287 A ATOM 20 O LIG 1 2.673 -3.377 4.580 0.00 0.00 -0.385 OA ATOM 21 C LIG 1 3.773 -3.781 5.267 0.00 0.00 +0.436 A ATOM 22 O LIG 1 3.779 -4.470 6.271 0.00 0.00 -0.221 OA ATOM 23 N LIG 1 4.852 -3.262 4.607 0.00 0.00 -0.208 N ATOM 24 H LIG 1 5.819 -3.389 4.874 0.00 0.00 +0.195 HD ATOM 25 N LIG 1 4.476 -2.540 3.521 0.00 0.00 -0.127 NA ENDBRANCH 5 19 BRANCH 1 27 ATOM 26 C LIG 1 -0.298 -0.462 -2.163 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -0.929 0.176 -0.918 0.00 0.00 +0.091 C BRANCH 27 28 ATOM 28 C LIG 1 -0.637 1.690 -0.685 0.00 0.00 +0.012 C ATOM 29 C LIG 1 -1.644 2.296 0.317 0.00 0.00 +0.006 C ATOM 30 C LIG 1 -1.409 3.788 0.545 0.00 0.00 +0.003 C ATOM 31 C LIG 1 -1.435 4.573 -0.769 0.00 0.00 -0.014 C ATOM 32 C LIG 1 -1.157 6.054 -0.520 0.00 0.00 +0.007 C ATOM 33 C LIG 1 -0.423 3.990 -1.760 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -0.653 2.498 -1.996 0.00 0.00 +0.006 C ENDBRANCH 27 28 ENDBRANCH 1 27 BRANCH 8 35 ATOM 35 N LIG 1 2.404 -0.043 -0.335 0.00 0.00 -0.324 N ATOM 36 H LIG 1 1.811 0.667 -0.730 0.00 0.00 +0.148 HD BRANCH 35 37 ATOM 37 C LIG 1 3.820 0.327 -0.286 0.00 0.00 +0.072 C ATOM 38 C LIG 1 4.011 1.542 0.623 0.00 0.00 +0.028 C BRANCH 37 39 ATOM 39 C LIG 1 4.279 0.683 -1.704 0.00 0.00 +0.009 C ATOM 40 C LIG 1 4.327 -0.486 -2.727 0.00 0.00 +0.005 C ATOM 41 C LIG 1 5.581 0.183 -3.324 0.00 0.00 +0.001 C ATOM 42 C LIG 1 5.809 0.824 -1.940 0.00 0.00 +0.005 C ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 8 35 TORSDOF 7