REMARK Name = BDB042104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.070 -1.414 1.243 0.00 0.00 +0.119 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 5.701 0.131 -0.499 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.256 -1.016 -1.148 0.00 0.00 +0.248 C ATOM 4 O LIG 1 5.832 -1.679 -1.988 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.911 -1.304 -0.642 0.00 0.00 +0.042 A ATOM 6 C LIG 1 3.539 -0.268 0.208 0.00 0.00 -0.018 A ATOM 7 C LIG 1 2.301 -0.282 0.825 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.432 -1.362 0.574 0.00 0.00 -0.033 A ATOM 9 C LIG 1 1.838 -2.406 -0.293 0.00 0.00 +0.005 A ATOM 10 C LIG 1 3.089 -2.380 -0.914 0.00 0.00 +0.014 A ATOM 11 C LIG 1 4.621 0.757 0.264 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 9.239 0.930 2.495 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 8.655 0.920 1.415 0.00 0.00 +0.219 C ATOM 14 N LIG 1 8.035 2.049 0.943 0.00 0.00 -0.255 N ATOM 15 H LIG 1 8.106 2.865 1.535 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.132 2.135 -0.090 0.00 0.00 +0.240 C ATOM 17 O LIG 1 6.453 3.153 -0.231 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.902 0.861 -0.919 0.00 0.00 +0.163 C ATOM 19 C LIG 1 8.180 0.014 -0.863 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.523 -0.329 0.579 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.746 -0.214 0.985 0.00 0.00 -0.296 NA ATOM 22 C LIG 1 -1.926 -0.182 1.873 0.00 0.00 +0.100 C ATOM 23 C LIG 1 -3.064 -1.154 1.477 0.00 0.00 +0.100 C ATOM 24 N LIG 1 -3.539 -1.028 0.076 0.00 0.00 -0.289 NA ATOM 25 C LIG 1 -2.341 -1.097 -0.802 0.00 0.00 +0.100 C ATOM 26 C LIG 1 -1.192 -0.131 -0.422 0.00 0.00 +0.100 C BRANCH 24 27 ATOM 27 C LIG 1 -4.335 0.219 -0.147 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 C LIG 1 -4.811 0.386 -1.588 0.00 0.00 -0.008 A ATOM 29 C LIG 1 -5.398 -0.659 -2.300 0.00 0.00 +0.116 A ATOM 30 N LIG 1 -5.845 -0.560 -3.575 0.00 0.00 -0.263 NA ATOM 31 C LIG 1 -5.717 0.643 -4.170 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -5.159 1.750 -3.554 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.703 1.618 -2.246 0.00 0.00 +0.008 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 -5.537 0.354 0.799 0.00 0.00 -0.026 A ATOM 35 C LIG 1 -5.779 1.575 1.453 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.875 1.723 2.304 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.748 0.658 2.511 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -7.528 -0.557 1.867 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.432 -0.709 1.016 0.00 0.00 +0.005 A ENDBRANCH 27 34 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6