REMARK Name = BDB004813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.238 -2.248 -0.593 0.00 0.00 +0.099 C ATOM 2 C LIG 1 -0.907 -3.037 0.679 0.00 0.00 +0.033 C ENDROOT BRANCH 1 5 ATOM 3 C LIG 1 2.244 -0.904 -1.536 0.00 0.00 +0.034 A ATOM 4 C LIG 1 1.099 -1.220 -0.801 0.00 0.00 +0.028 A ATOM 5 C LIG 1 0.023 -1.918 -1.385 0.00 0.00 -0.026 A ATOM 6 C LIG 1 0.117 -2.289 -2.734 0.00 0.00 +0.005 A ATOM 7 C LIG 1 1.260 -1.988 -3.473 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.319 -1.303 -2.875 0.00 0.00 +0.023 A BRANCH 3 10 ATOM 9 C LIG 1 3.454 0.377 0.244 0.00 0.00 +0.250 C ATOM 10 N LIG 1 3.352 -0.207 -1.006 0.00 0.00 -0.281 N ATOM 11 H LIG 1 4.116 -0.056 -1.652 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 2.571 0.459 1.090 0.00 0.00 -0.270 OA BRANCH 9 17 ATOM 13 C LIG 1 8.380 2.977 1.607 0.00 0.00 +0.065 C ATOM 14 C LIG 1 7.117 2.265 1.222 0.00 0.00 +0.038 A ATOM 15 N LIG 1 5.955 2.753 1.715 0.00 0.00 -0.259 NA ATOM 16 C LIG 1 4.811 2.105 1.378 0.00 0.00 +0.124 A ATOM 17 C LIG 1 4.768 0.994 0.546 0.00 0.00 +0.055 A ATOM 18 C LIG 1 5.978 0.497 0.060 0.00 0.00 +0.016 A ATOM 19 C LIG 1 7.168 1.142 0.400 0.00 0.00 +0.024 A ENDBRANCH 9 17 ENDBRANCH 3 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 N LIG 1 -1.907 -0.982 -0.281 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -1.387 -0.450 0.410 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.271 -1.015 0.051 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -3.942 0.191 0.351 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -5.308 0.090 0.682 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -5.992 1.283 1.002 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -5.340 2.531 0.978 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -4.002 2.621 0.634 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -5.922 -1.115 0.683 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -5.198 -2.188 0.348 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -3.309 1.460 0.321 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -3.906 -2.196 0.028 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -7.440 1.322 1.381 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -8.010 2.378 1.634 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -8.129 0.147 1.444 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -7.678 -0.733 1.213 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -9.110 0.166 1.680 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 6