REMARK Name = BDB017602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.016 -1.223 0.853 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.616 -1.398 -0.399 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.909 -0.917 -0.632 0.00 0.00 +0.051 A ATOM 4 C LIG 1 3.630 -0.238 0.362 0.00 0.00 +0.020 A ATOM 5 C LIG 1 4.989 0.262 0.041 0.00 0.00 +0.045 A ATOM 6 N LIG 1 5.685 1.015 0.984 0.00 0.00 -0.343 N ATOM 7 H LIG 1 5.076 1.546 1.601 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 6.894 1.742 0.614 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.735 0.882 -0.321 0.00 0.00 +0.023 C ATOM 10 C LIG 1 6.915 0.438 -1.537 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.527 -0.011 -1.166 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.762 -0.751 -2.205 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.236 -0.991 -3.312 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 3.030 -0.088 1.620 0.00 0.00 +0.012 A ATOM 15 N LIG 1 3.494 -1.138 -1.883 0.00 0.00 -0.322 N ATOM 16 H LIG 1 2.994 -1.639 -2.604 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 1.738 -0.570 1.861 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.380 -1.744 1.124 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 -4.009 0.024 0.307 0.00 0.00 -0.327 N ATOM 20 C LIG 1 -3.749 -1.305 0.890 0.00 0.00 +0.120 C ATOM 21 C LIG 1 -2.620 -1.244 1.946 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -1.334 -0.682 1.482 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -1.539 0.265 0.362 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -2.903 0.994 0.384 0.00 0.00 +0.120 C BRANCH 19 29 ATOM 25 C LIG 1 -7.824 1.073 -1.198 0.00 0.00 +0.087 A ATOM 26 C LIG 1 -7.446 -0.256 -1.077 0.00 0.00 +0.142 A ATOM 27 F LIG 1 -8.284 -1.238 -1.442 0.00 0.00 -0.204 F ATOM 28 C LIG 1 -6.188 -0.605 -0.579 0.00 0.00 +0.062 A ATOM 29 C LIG 1 -5.257 0.368 -0.182 0.00 0.00 +0.033 A ATOM 30 C LIG 1 -5.660 1.709 -0.316 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -6.923 2.064 -0.813 0.00 0.00 +0.023 A BRANCH 25 33 ATOM 32 N LIG 1 -10.154 1.734 -2.116 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 -9.114 1.419 -1.706 0.00 0.00 +0.102 C ENDBRANCH 25 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4