REMARK Name = BDB024753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.382 -1.435 0.852 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.598 -0.271 0.960 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.280 1.036 1.071 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.611 1.601 -0.317 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.500 2.018 1.939 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.117 2.244 1.375 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.429 0.940 1.087 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.017 0.923 0.984 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.142 1.971 1.107 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.064 1.473 0.917 0.00 0.00 +0.115 A ATOM 11 N LIG 1 -1.002 0.104 0.713 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.334 -0.254 0.717 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.012 -1.454 0.521 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.413 -1.431 0.607 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.149 -0.268 0.887 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.983 -2.593 0.815 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.147 -0.784 0.494 0.00 0.00 +0.090 C ATOM 18 C LIG 1 -2.238 -1.246 -0.971 0.00 0.00 +0.036 C ATOM 19 C LIG 1 -3.399 -2.224 -1.206 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -3.395 -3.406 -0.215 0.00 0.00 +0.011 C ATOM 21 C LIG 1 -2.307 -3.321 0.853 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -2.233 -1.944 1.508 0.00 0.00 +0.025 C BRANCH 19 23 ATOM 23 C LIG 1 -4.713 -1.512 -1.179 0.00 0.00 +0.152 A ATOM 24 N LIG 1 -5.414 -1.162 -2.299 0.00 0.00 -0.242 N ATOM 25 H LIG 1 -5.191 -1.289 -3.278 0.00 0.00 +0.192 HD ATOM 26 N LIG 1 -6.564 -0.571 -1.952 0.00 0.00 -0.047 NA ATOM 27 N LIG 1 -6.551 -0.539 -0.627 0.00 0.00 -0.023 NA ATOM 28 N LIG 1 -5.406 -1.112 -0.132 0.00 0.00 -0.113 NA ENDBRANCH 19 23 ENDBRANCH 11 17 BRANCH 1 30 ATOM 29 C LIG 1 7.571 -2.297 0.690 0.00 0.00 +0.282 C ATOM 30 O LIG 1 6.722 -1.153 0.795 0.00 0.00 -0.453 OA ENDBRANCH 1 30 BRANCH 10 31 ATOM 31 C LIG 1 -2.318 2.299 0.901 0.00 0.00 +0.109 C BRANCH 31 32 ATOM 32 C LIG 1 -2.879 2.522 -0.488 0.00 0.00 -0.040 A ATOM 33 C LIG 1 -4.234 2.281 -0.753 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -4.760 2.512 -2.026 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.942 2.990 -3.046 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.595 3.244 -2.793 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.069 3.019 -1.521 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 5