REMARK Name = BDB032287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.915 -0.510 -1.517 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.252 0.709 -1.560 0.00 0.00 +0.118 A ATOM 3 N LIG 1 -1.032 0.895 -1.173 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -1.710 -0.176 -0.722 0.00 0.00 +0.119 A ATOM 5 C LIG 1 -1.131 -1.436 -0.635 0.00 0.00 +0.044 A ATOM 6 C LIG 1 0.191 -1.605 -1.043 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.022 0.073 -0.316 0.00 0.00 -0.329 N ATOM 8 H LIG 1 -3.124 1.074 -0.489 0.00 0.00 +0.147 HD BRANCH 7 9 ATOM 9 C LIG 1 -4.028 -0.702 -1.039 0.00 0.00 +0.106 C BRANCH 9 10 ATOM 10 C LIG 1 -5.454 -0.349 -0.583 0.00 0.00 +0.008 C ATOM 11 C LIG 1 -5.855 1.092 -0.927 0.00 0.00 +0.020 C ATOM 12 C LIG 1 -7.275 1.398 -0.442 0.00 0.00 +0.084 C ATOM 13 N LIG 1 -7.495 1.123 0.983 0.00 0.00 -0.305 NA ATOM 14 C LIG 1 -6.852 2.115 1.843 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -7.102 -0.248 1.332 0.00 0.00 +0.084 C ATOM 16 C LIG 1 -5.677 -0.620 0.912 0.00 0.00 +0.020 C ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 4 7 BRANCH 1 17 ATOM 17 C LIG 1 2.339 -0.640 -1.984 0.00 0.00 +0.138 C BRANCH 17 18 ATOM 18 N LIG 1 3.154 -1.238 -0.929 0.00 0.00 -0.339 N ATOM 19 H LIG 1 2.956 -0.814 -0.023 0.00 0.00 +0.146 HD BRANCH 18 25 ATOM 20 C LIG 1 6.688 -0.021 1.558 0.00 0.00 +0.018 A ATOM 21 N LIG 1 7.539 -0.405 0.548 0.00 0.00 -0.343 N ATOM 22 H LIG 1 8.547 -0.354 0.560 0.00 0.00 +0.167 HD ATOM 23 C LIG 1 6.825 -0.886 -0.514 0.00 0.00 +0.140 A ATOM 24 C LIG 1 5.473 -0.818 -0.196 0.00 0.00 +0.040 A ATOM 25 C LIG 1 4.540 -1.258 -1.163 0.00 0.00 +0.040 A ATOM 26 C LIG 1 5.085 -1.766 -2.351 0.00 0.00 +0.043 A ATOM 27 C LIG 1 6.463 -1.780 -2.536 0.00 0.00 +0.115 A ATOM 28 N LIG 1 7.382 -1.340 -1.651 0.00 0.00 -0.237 NA ATOM 29 C LIG 1 5.400 -0.270 1.119 0.00 0.00 +0.034 A BRANCH 20 31 ATOM 30 C LIG 1 7.358 2.052 2.766 0.00 0.00 +0.010 C ATOM 31 C LIG 1 7.190 0.543 2.844 0.00 0.00 +0.050 C ENDBRANCH 20 31 ENDBRANCH 18 25 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 7