REMARK Name = BDB014710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.220 2.005 0.346 0.00 0.00 -0.299 N ATOM 2 H LIG 1 0.836 2.807 0.463 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.716 -0.568 -0.761 0.00 0.00 +0.004 A ATOM 4 C LIG 1 2.143 0.551 -0.114 0.00 0.00 +0.081 A ATOM 5 C LIG 1 0.792 0.916 -0.350 0.00 0.00 +0.051 A ATOM 6 C LIG 1 0.046 0.116 -1.228 0.00 0.00 +0.024 A ATOM 7 C LIG 1 0.609 -0.991 -1.869 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.936 -1.332 -1.638 0.00 0.00 +0.010 A BRANCH 3 10 ATOM 9 C LIG 1 4.428 -1.694 0.544 0.00 0.00 +0.077 C ATOM 10 C LIG 1 4.120 -0.977 -0.551 0.00 0.00 +0.014 C BRANCH 9 12 ATOM 11 C LIG 1 5.852 -2.678 2.338 0.00 0.00 +0.125 C ATOM 12 N LIG 1 5.633 -2.190 0.989 0.00 0.00 -0.352 N ATOM 13 H LIG 1 6.463 -1.785 0.562 0.00 0.00 +0.145 HD ENDBRANCH 9 12 BRANCH 10 14 ATOM 14 C LIG 1 5.168 -0.628 -1.552 0.00 0.00 +0.111 C ATOM 15 N LIG 1 4.998 0.062 -2.631 0.00 0.00 -0.307 NA ATOM 16 H LIG 1 4.025 0.362 -2.739 0.00 0.00 +0.186 HD ENDBRANCH 10 14 ENDBRANCH 3 10 BRANCH 4 17 ATOM 17 C LIG 1 2.936 1.324 0.803 0.00 0.00 +0.102 C ATOM 18 N LIG 1 3.555 1.960 1.551 0.00 0.00 -0.191 NA ENDBRANCH 4 17 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 -1.091 2.369 0.522 0.00 0.00 +0.121 C ATOM 20 N LIG 1 -1.279 3.646 0.707 0.00 0.00 -0.285 NA ATOM 21 H LIG 1 -2.261 3.851 0.915 0.00 0.00 +0.188 HD BRANCH 19 22 ATOM 22 C LIG 1 -2.259 1.430 0.574 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -3.355 1.767 -0.402 0.00 0.00 +0.147 C ATOM 24 N LIG 1 -4.339 0.695 -0.525 0.00 0.00 -0.297 N ATOM 25 C LIG 1 -5.233 0.610 -1.587 0.00 0.00 +0.213 C ATOM 26 O LIG 1 -6.211 -0.137 -1.577 0.00 0.00 -0.276 OA ATOM 27 C LIG 1 -4.949 1.466 -2.796 0.00 0.00 +0.109 C ATOM 28 C LIG 1 -4.679 0.007 0.714 0.00 0.00 +0.114 C ATOM 29 C LIG 1 -3.441 -0.581 1.386 0.00 0.00 +0.070 C ATOM 30 C LIG 1 -2.251 0.364 1.408 0.00 0.00 +0.013 C BRANCH 30 31 ATOM 31 N LIG 1 -1.234 0.077 2.313 0.00 0.00 -0.350 N ATOM 32 H LIG 1 -0.413 0.675 2.216 0.00 0.00 +0.145 HD ATOM 33 C LIG 1 -0.942 -1.224 2.880 0.00 0.00 +0.125 C ENDBRANCH 30 31 ENDBRANCH 19 22 ENDBRANCH 1 19 TORSDOF 8