REMARK Name = BDB035145 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.851 -0.315 -1.507 0.00 0.00 -0.299 NA ATOM 2 C LIG 1 -1.329 -1.602 -0.986 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -0.048 -1.491 -0.126 0.00 0.00 +0.120 C ATOM 4 N LIG 1 1.019 -0.767 -0.852 0.00 0.00 -0.326 N ATOM 5 C LIG 1 0.574 0.525 -1.427 0.00 0.00 +0.120 C ATOM 6 C LIG 1 -0.748 0.366 -2.220 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.306 -0.751 -0.294 0.00 0.00 +0.048 A ATOM 8 C LIG 1 3.417 -0.304 -1.028 0.00 0.00 +0.134 A ATOM 9 N LIG 1 4.700 -0.247 -0.587 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 4.909 -0.690 0.681 0.00 0.00 +0.125 A ATOM 11 C LIG 1 3.903 -1.178 1.498 0.00 0.00 +0.035 A ATOM 12 C LIG 1 2.598 -1.210 0.997 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 6.321 -0.633 1.178 0.00 0.00 +0.263 C ATOM 14 N LIG 1 7.223 -0.145 0.255 0.00 0.00 -0.305 N ATOM 15 H LIG 1 6.804 0.104 -0.640 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 6.617 -0.994 2.312 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 8.609 -0.007 0.507 0.00 0.00 +0.036 C ATOM 18 C LIG 1 9.297 0.863 1.581 0.00 0.00 +0.029 C ATOM 19 C LIG 1 10.500 0.196 0.809 0.00 0.00 -0.005 C ATOM 20 C LIG 1 9.668 0.530 -0.485 0.00 0.00 +0.029 C ATOM 21 C LIG 1 9.625 -1.115 0.860 0.00 0.00 +0.029 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 -2.437 0.501 -0.430 0.00 0.00 +0.093 C BRANCH 22 32 ATOM 23 C LIG 1 -7.130 -0.556 0.691 0.00 0.00 +0.012 C ATOM 24 C LIG 1 -6.080 -1.360 -0.017 0.00 0.00 +0.240 C ATOM 25 O LIG 1 -5.940 -2.564 0.171 0.00 0.00 -0.271 OA ATOM 26 N LIG 1 -5.263 -0.692 -0.883 0.00 0.00 -0.306 N ATOM 27 H LIG 1 -4.644 -1.294 -1.413 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -5.572 0.631 -1.391 0.00 0.00 +0.102 C ATOM 29 C LIG 1 -6.192 1.550 -0.323 0.00 0.00 +0.148 C ATOM 30 N LIG 1 -5.235 2.213 0.568 0.00 0.00 -0.286 NA ATOM 31 C LIG 1 -3.986 2.273 0.269 0.00 0.00 +0.083 C ATOM 32 C LIG 1 -3.313 1.668 -0.939 0.00 0.00 +0.046 C ATOM 33 C LIG 1 -4.349 1.302 -2.002 0.00 0.00 +0.035 C ATOM 34 C LIG 1 -7.145 0.784 0.550 0.00 0.00 +0.010 C BRANCH 23 36 ATOM 35 C LIG 1 -9.151 -0.602 2.301 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -8.063 -1.369 1.557 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6