REMARK Name = BDB034156 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.772 -2.343 -1.473 0.00 0.00 -0.294 NA ATOM 2 C LIG 1 1.434 -1.043 -2.079 0.00 0.00 +0.089 C ATOM 3 C LIG 1 0.320 -0.275 -1.343 0.00 0.00 +0.051 C ATOM 4 C LIG 1 -0.831 -1.172 -0.945 0.00 0.00 -0.040 C ATOM 5 C LIG 1 -0.691 -2.511 -1.001 0.00 0.00 -0.007 C ATOM 6 C LIG 1 0.575 -3.197 -1.443 0.00 0.00 +0.112 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.090 -0.539 -0.501 0.00 0.00 -0.004 A ATOM 8 C LIG 1 -3.340 -1.021 -0.898 0.00 0.00 +0.119 A ATOM 9 N LIG 1 -4.532 -0.482 -0.540 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -4.475 0.619 0.259 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -3.290 1.186 0.706 0.00 0.00 +0.033 A ATOM 12 C LIG 1 -2.087 0.598 0.315 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -5.790 1.215 0.661 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -6.888 0.588 0.107 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -6.685 -0.271 -0.401 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -5.857 2.168 1.428 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -8.239 0.902 0.514 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -9.311 0.406 -0.449 0.00 0.00 +0.182 C ATOM 19 O LIG 1 -10.474 0.081 0.331 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -10.146 0.255 1.716 0.00 0.00 +0.162 C ATOM 21 C LIG 1 -8.638 0.224 1.807 0.00 0.00 +0.052 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.377 -2.231 -0.136 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 7.838 1.274 0.464 0.00 0.00 +0.019 A ATOM 24 C LIG 1 6.785 1.891 1.337 0.00 0.00 +0.252 A ATOM 25 O LIG 1 7.008 2.884 2.021 0.00 0.00 -0.268 OA ATOM 26 N LIG 1 5.549 1.296 1.341 0.00 0.00 -0.321 N ATOM 27 H LIG 1 4.854 1.727 1.935 0.00 0.00 +0.169 HD ATOM 28 C LIG 1 5.245 0.155 0.590 0.00 0.00 +0.068 A ATOM 29 C LIG 1 6.224 -0.430 -0.211 0.00 0.00 +0.088 A ATOM 30 N LIG 1 6.019 -1.530 -0.963 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 4.776 -2.065 -0.913 0.00 0.00 +0.116 A ATOM 32 C LIG 1 3.727 -1.556 -0.144 0.00 0.00 -0.013 A ATOM 33 C LIG 1 3.979 -0.416 0.628 0.00 0.00 +0.034 A ATOM 34 C LIG 1 7.553 0.169 -0.250 0.00 0.00 +0.038 A BRANCH 23 36 ATOM 35 C LIG 1 9.242 3.173 -0.393 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.197 1.917 0.465 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6