REMARK Name = BDB060915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.374 -0.371 -0.161 0.00 0.00 -0.013 A ATOM 2 C LIG 1 1.468 0.587 0.139 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.130 0.235 0.478 0.00 0.00 +0.140 A ATOM 4 N LIG 1 -0.208 -1.113 0.477 0.00 0.00 -0.288 N ATOM 5 C LIG 1 -1.560 -1.195 0.813 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -1.940 0.127 1.039 0.00 0.00 +0.082 A ATOM 7 C LIG 1 0.716 -2.116 0.169 0.00 0.00 +0.095 A ATOM 8 N LIG 1 -0.887 0.989 0.818 0.00 0.00 -0.231 NA ATOM 9 C LIG 1 1.979 -1.781 -0.144 0.00 0.00 +0.027 A ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 9.188 1.946 1.779 0.00 0.00 +0.134 C ATOM 11 N LIG 1 8.223 1.533 0.779 0.00 0.00 -0.284 N ATOM 12 C LIG 1 8.597 1.562 -0.549 0.00 0.00 +0.307 C ATOM 13 O LIG 1 9.731 1.839 -0.935 0.00 0.00 -0.252 OA ATOM 14 N LIG 1 7.643 1.221 -1.466 0.00 0.00 -0.269 N ATOM 15 H LIG 1 7.973 1.185 -2.420 0.00 0.00 +0.156 HD ATOM 16 C LIG 1 6.343 0.834 -1.156 0.00 0.00 +0.039 A ATOM 17 C LIG 1 5.909 0.937 0.161 0.00 0.00 -0.008 A ATOM 18 C LIG 1 4.603 0.549 0.488 0.00 0.00 +0.015 A ATOM 19 C LIG 1 3.743 0.053 -0.503 0.00 0.00 -0.017 A ATOM 20 C LIG 1 4.199 -0.045 -1.824 0.00 0.00 +0.010 A ATOM 21 C LIG 1 5.497 0.351 -2.153 0.00 0.00 +0.024 A ATOM 22 C LIG 1 6.824 1.551 1.173 0.00 0.00 +0.146 C ENDBRANCH 1 19 BRANCH 5 23 ATOM 23 N LIG 1 -2.200 -2.404 0.894 0.00 0.00 -0.326 N ATOM 24 H LIG 1 -1.669 -3.242 0.671 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.612 -2.564 0.548 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.154 -3.834 1.233 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -5.328 -4.478 0.490 0.00 0.00 +0.002 C ATOM 28 C LIG 1 -6.121 -3.460 -0.318 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.253 -2.771 -1.372 0.00 0.00 +0.002 C ATOM 30 C LIG 1 -3.780 -2.657 -0.971 0.00 0.00 +0.022 C ENDBRANCH 23 25 ENDBRANCH 5 23 BRANCH 6 31 ATOM 31 C LIG 1 -3.231 0.703 1.523 0.00 0.00 +0.063 C BRANCH 31 32 ATOM 32 C LIG 1 -4.211 1.061 0.401 0.00 0.00 +0.041 C BRANCH 32 33 ATOM 33 C LIG 1 -3.973 2.419 -0.218 0.00 0.00 -0.047 A ATOM 34 C LIG 1 -3.026 2.582 -1.237 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -2.806 3.838 -1.806 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.531 4.942 -1.363 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.472 4.793 -0.346 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -4.691 3.538 0.226 0.00 0.00 +0.003 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 6