REMARK Name = BDB037896 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.254 -0.641 0.573 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.881 -1.831 0.048 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.565 -2.022 -0.210 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.456 -1.093 0.027 0.00 0.00 +0.053 A ATOM 5 C LIG 1 -0.058 0.138 0.574 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.311 0.352 0.837 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.507 -0.154 1.192 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.006 -0.972 0.178 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.847 -1.618 -0.642 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.634 -1.132 -0.017 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.701 -0.473 0.802 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.225 0.328 1.829 0.00 0.00 +0.136 A ATOM 13 F LIG 1 3.405 0.961 2.683 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.601 0.494 2.026 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.407 0.842 2.229 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.869 -0.072 1.277 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.812 -1.339 -0.293 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.323 -2.641 0.180 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.888 -2.642 0.121 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.394 -1.689 -1.002 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.421 -1.644 -2.179 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.030 -1.148 -1.754 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -4.391 -4.009 -0.233 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -3.976 -4.712 0.382 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -4.104 -4.255 -1.180 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.518 -2.308 1.509 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -4.037 -1.001 2.155 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -4.387 0.094 1.440 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -4.598 -0.851 3.386 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -5.954 -2.349 1.383 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -6.133 -3.108 0.791 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -1.026 1.246 0.913 0.00 0.00 +0.161 C BRANCH 32 33 ATOM 33 N LIG 1 -1.390 2.070 -0.226 0.00 0.00 -0.310 N ATOM 34 C LIG 1 -0.565 2.905 -0.928 0.00 0.00 +0.169 A ATOM 35 C LIG 1 -1.391 3.516 -1.854 0.00 0.00 +0.169 A ATOM 36 C LIG 1 -0.768 4.418 -2.709 0.00 0.00 +0.245 A ATOM 37 N LIG 1 0.555 4.657 -2.607 0.00 0.00 -0.178 NA ATOM 38 C LIG 1 1.239 4.010 -1.646 0.00 0.00 +0.218 A ATOM 39 N LIG 1 -2.693 3.093 -1.727 0.00 0.00 -0.229 NA ATOM 40 N LIG 1 0.755 3.107 -0.773 0.00 0.00 -0.195 NA ATOM 41 C LIG 1 -2.663 2.249 -0.712 0.00 0.00 +0.202 A BRANCH 38 42 ATOM 42 N LIG 1 2.593 4.273 -1.576 0.00 0.00 -0.327 N ATOM 43 H LIG 1 3.089 3.463 -1.229 0.00 0.00 +0.145 HD ATOM 44 H LIG 1 2.901 4.669 -2.458 0.00 0.00 +0.145 HD ENDBRANCH 38 42 BRANCH 36 45 ATOM 45 O LIG 1 -1.452 5.098 -3.688 0.00 0.00 -0.491 OA ATOM 46 H LIG 1 -2.373 4.790 -3.603 0.00 0.00 +0.294 HD ENDBRANCH 36 45 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 11