REMARK Name = BDB024949 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.744 0.029 -0.215 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.734 -0.817 0.280 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.119 -2.128 0.842 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.494 -2.002 2.325 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.060 -3.195 0.588 0.00 0.00 +0.027 C ATOM 6 C LIG 1 2.738 -2.786 1.194 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.366 -1.387 0.792 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.010 -0.991 0.878 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -0.073 -1.731 1.282 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.125 -0.943 1.167 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -0.745 0.317 0.737 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.620 0.292 0.526 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.540 1.236 0.077 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.886 0.844 0.005 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.333 -0.443 0.351 0.00 0.00 +0.045 A ATOM 16 O LIG 1 5.594 1.113 -0.767 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -1.637 1.449 0.504 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -1.768 1.791 -0.985 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.852 2.845 -1.231 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -2.888 3.966 -0.175 0.00 0.00 +0.098 C ATOM 21 C LIG 1 -1.616 4.013 0.674 0.00 0.00 +0.017 C ATOM 22 C LIG 1 -1.303 2.683 1.368 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -4.105 3.843 0.733 0.00 0.00 +0.308 C ATOM 24 O LIG 1 -4.624 2.788 1.062 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.548 5.034 1.194 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 -4.041 5.807 0.880 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 28 ATOM 27 C LIG 1 8.064 0.318 -0.514 0.00 0.00 +0.282 C ATOM 28 O LIG 1 6.996 -0.496 -0.027 0.00 0.00 -0.453 OA ENDBRANCH 1 28 BRANCH 10 29 ATOM 29 C LIG 1 -2.537 -1.370 1.453 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -3.401 -1.489 0.214 0.00 0.00 -0.039 A ATOM 31 C LIG 1 -3.003 -2.319 -0.852 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -3.807 -2.417 -2.004 0.00 0.00 -0.000 A ATOM 33 C LIG 1 -4.997 -1.692 -2.056 0.00 0.00 +0.046 A ATOM 34 N LIG 1 -5.584 -1.965 -3.271 0.00 0.00 -0.361 N ATOM 35 H LIG 1 -6.465 -1.579 -3.580 0.00 0.00 +0.165 HD ATOM 36 C LIG 1 -4.805 -2.833 -3.989 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.426 -0.871 -1.010 0.00 0.00 +0.026 A ATOM 38 C LIG 1 -3.697 -3.132 -3.228 0.00 0.00 +0.027 A ATOM 39 C LIG 1 -4.611 -0.786 0.124 0.00 0.00 +0.006 A ENDBRANCH 29 30 ENDBRANCH 10 29 TORSDOF 6