REMARK Name = BDB001152 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.500 -2.937 -0.850 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.661 -3.022 0.275 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.506 -2.115 0.361 0.00 0.00 +0.099 C ATOM 4 C LIG 1 -1.751 -3.046 0.336 0.00 0.00 +0.013 C ATOM 5 C LIG 1 -2.421 -2.942 1.710 0.00 0.00 +0.007 C ATOM 6 C LIG 1 -1.387 -2.308 2.627 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -1.195 -4.437 0.037 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -0.622 -1.356 1.709 0.00 0.00 +0.094 C ATOM 9 C LIG 1 0.213 -4.375 0.591 0.00 0.00 +0.108 C ATOM 10 O LIG 1 1.590 -3.882 -1.647 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -1.358 -0.097 1.604 0.00 0.00 -0.307 N ATOM 12 H LIG 1 -2.351 -0.111 1.800 0.00 0.00 +0.149 HD ATOM 13 C LIG 1 -0.788 1.060 1.125 0.00 0.00 +0.244 C ATOM 14 O LIG 1 0.336 1.093 0.635 0.00 0.00 -0.270 OA BRANCH 13 15 ATOM 15 C LIG 1 -1.643 2.285 1.181 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -2.649 2.435 2.151 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -3.405 3.597 2.137 0.00 0.00 -0.002 A ATOM 18 C LIG 1 -4.547 3.993 2.991 0.00 0.00 +0.080 C ATOM 19 C LIG 1 -4.651 5.468 2.591 0.00 0.00 +0.234 C ATOM 20 O LIG 1 -4.029 5.656 1.298 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -3.189 4.581 1.184 0.00 0.00 +0.124 A ATOM 22 C LIG 1 -2.208 4.463 0.225 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -1.411 3.312 0.242 0.00 0.00 +0.016 A ENDBRANCH 13 15 ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 2.412 -1.687 -1.035 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 1.525 0.062 -2.550 0.00 0.00 +0.230 C ATOM 26 N LIG 1 1.667 -0.454 -1.274 0.00 0.00 -0.302 N ATOM 27 H LIG 1 1.260 0.055 -0.485 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 2.010 -0.466 -3.554 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 0.699 1.360 -2.639 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -0.786 1.012 -2.700 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 2.326 2.818 -3.701 0.00 0.00 +0.101 C ATOM 32 N LIG 1 1.049 2.127 -3.859 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 1.158 1.439 -4.612 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 3.558 -1.527 0.017 0.00 0.00 -0.011 C ATOM 35 C LIG 1 3.066 -1.186 1.431 0.00 0.00 +0.013 C ATOM 36 C LIG 1 4.507 -0.391 -0.435 0.00 0.00 +0.013 C ATOM 37 C LIG 1 4.388 -2.825 0.093 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7