REMARK Name = BDB000017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.273 1.881 -0.089 0.00 0.00 +0.044 A ATOM 2 C LIG 1 1.112 1.819 -0.167 0.00 0.00 +0.071 A ATOM 3 C LIG 1 2.004 0.660 -0.138 0.00 0.00 +0.256 C ATOM 4 N LIG 1 3.283 1.137 -0.219 0.00 0.00 -0.222 N ATOM 5 C LIG 1 3.297 2.497 -0.373 0.00 0.00 +0.255 C ATOM 6 O LIG 1 4.249 3.238 -0.526 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 1.615 -0.491 -0.082 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 1.907 2.942 -0.316 0.00 0.00 +0.051 A ATOM 9 C LIG 1 1.375 4.212 -0.399 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -0.015 4.318 -0.330 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -0.824 3.168 -0.178 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 4.471 0.314 -0.387 0.00 0.00 +0.171 C ATOM 13 C LIG 1 4.497 -0.244 -1.814 0.00 0.00 +0.240 C ATOM 14 O LIG 1 3.902 0.270 -2.760 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 5.297 -1.348 -2.008 0.00 0.00 -0.255 N ATOM 16 H LIG 1 5.326 -1.712 -2.951 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 5.947 -2.095 -1.057 0.00 0.00 +0.219 C ATOM 18 O LIG 1 6.583 -3.098 -1.365 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 5.889 -1.582 0.363 0.00 0.00 +0.098 C ATOM 20 C LIG 1 4.597 -0.822 0.624 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -1.034 0.716 0.082 0.00 0.00 -0.313 N ATOM 22 H LIG 1 -0.513 -0.145 -0.116 0.00 0.00 +0.152 HD BRANCH 21 24 ATOM 23 C LIG 1 -3.059 -0.667 0.155 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.327 0.472 0.602 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -2.913 1.361 1.528 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -4.207 1.108 2.012 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -4.879 -0.009 1.559 0.00 0.00 +0.168 A ATOM 28 O LIG 1 -6.103 -0.068 2.144 0.00 0.00 -0.354 OA ATOM 29 N LIG 1 -6.259 1.010 3.002 0.00 0.00 -0.082 NA ATOM 30 C LIG 1 -5.119 1.708 2.918 0.00 0.00 +0.088 A ATOM 31 C LIG 1 -4.934 2.940 3.716 0.00 0.00 +0.070 C ATOM 32 C LIG 1 -4.359 -0.917 0.645 0.00 0.00 +0.060 A BRANCH 23 38 ATOM 33 C LIG 1 -1.167 -5.150 -1.020 0.00 0.00 +0.065 C ATOM 34 C LIG 1 -1.590 -3.766 -1.409 0.00 0.00 +0.039 A ATOM 35 N LIG 1 -1.433 -3.410 -2.704 0.00 0.00 -0.260 NA ATOM 36 C LIG 1 -1.805 -2.161 -3.054 0.00 0.00 +0.111 A ATOM 37 C LIG 1 -2.336 -1.239 -2.168 0.00 0.00 +0.028 A ATOM 38 C LIG 1 -2.500 -1.610 -0.831 0.00 0.00 -0.013 A ATOM 39 C LIG 1 -2.117 -2.902 -0.453 0.00 0.00 +0.031 A ENDBRANCH 23 38 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 4