REMARK Name = BDB013753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.272 0.089 0.410 0.00 0.00 +0.106 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.202 -0.187 0.735 0.00 0.00 -0.028 A ATOM 3 C LIG 1 0.544 -1.367 1.421 0.00 0.00 +0.006 A ATOM 4 C LIG 1 1.874 -1.655 1.735 0.00 0.00 +0.013 A ATOM 5 C LIG 1 2.885 -0.772 1.351 0.00 0.00 +0.037 A ATOM 6 C LIG 1 2.563 0.418 0.694 0.00 0.00 +0.013 A ATOM 7 C LIG 1 1.231 0.703 0.381 0.00 0.00 +0.006 A BRANCH 5 8 ATOM 8 C LIG 1 4.285 -1.094 1.705 0.00 0.00 +0.247 C ATOM 9 N LIG 1 5.263 -1.104 0.705 0.00 0.00 -0.296 N ATOM 10 C LIG 1 6.620 -1.427 1.122 0.00 0.00 +0.132 C ATOM 11 O LIG 1 4.524 -1.340 2.886 0.00 0.00 -0.270 OA BRANCH 9 12 ATOM 12 C LIG 1 4.954 -1.307 -0.714 0.00 0.00 +0.142 C BRANCH 12 13 ATOM 13 C LIG 1 5.576 -0.292 -1.650 0.00 0.00 -0.030 A ATOM 14 C LIG 1 5.885 1.016 -1.246 0.00 0.00 +0.005 A ATOM 15 C LIG 1 6.422 1.934 -2.151 0.00 0.00 +0.000 A ATOM 16 C LIG 1 6.648 1.562 -3.474 0.00 0.00 +0.000 A ATOM 17 C LIG 1 6.335 0.272 -3.894 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.798 -0.647 -2.990 0.00 0.00 +0.005 A ENDBRANCH 12 13 ENDBRANCH 9 12 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 -1.664 -0.256 -0.992 0.00 0.00 -0.300 NA ATOM 20 C LIG 1 -1.630 -1.694 -1.246 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -0.966 0.474 -2.041 0.00 0.00 +0.105 C ENDBRANCH 1 19 BRANCH 1 23 ATOM 22 C LIG 1 -1.537 1.844 2.310 0.00 0.00 +0.030 C ATOM 23 C LIG 1 -1.749 1.535 0.825 0.00 0.00 +0.090 C BRANCH 23 24 ATOM 24 N LIG 1 -3.150 1.776 0.436 0.00 0.00 -0.322 N ATOM 25 H LIG 1 -3.229 1.947 -0.569 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -4.212 0.992 0.867 0.00 0.00 +0.166 A ATOM 27 C LIG 1 -5.370 0.879 -0.061 0.00 0.00 +0.117 A ATOM 28 C LIG 1 -6.452 0.123 0.321 0.00 0.00 +0.070 A ATOM 29 C LIG 1 -7.527 0.024 -0.562 0.00 0.00 +0.017 A ATOM 30 C LIG 1 -7.463 0.686 -1.788 0.00 0.00 +0.020 A ATOM 31 C LIG 1 -6.323 1.422 -2.086 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -6.434 -0.548 1.621 0.00 0.00 +0.276 A ATOM 33 O LIG 1 -7.414 -1.208 1.959 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.284 -0.387 2.386 0.00 0.00 -0.230 N ATOM 35 C LIG 1 -5.188 -0.996 3.700 0.00 0.00 +0.176 C ATOM 36 N LIG 1 -5.266 1.538 -1.254 0.00 0.00 -0.251 NA ATOM 37 N LIG 1 -4.205 0.380 2.016 0.00 0.00 -0.151 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 8