REMARK Name = BDB063345 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.757 0.277 -0.204 0.00 0.00 +0.045 A ATOM 2 C LIG 1 1.348 0.278 -1.497 0.00 0.00 +0.173 A ATOM 3 N LIG 1 2.717 0.183 -1.561 0.00 0.00 -0.253 N ATOM 4 C LIG 1 3.025 0.234 -2.890 0.00 0.00 +0.232 A ATOM 5 N LIG 1 1.923 0.321 -3.601 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 3.539 0.069 -0.432 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.990 0.064 0.753 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.863 0.351 -2.721 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.614 0.160 0.835 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 N LIG 1 -4.772 0.727 1.014 0.00 0.00 -0.316 N ATOM 11 C LIG 1 -3.473 0.471 0.556 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -2.605 1.315 1.262 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -1.216 1.244 1.021 0.00 0.00 +0.018 A ATOM 14 C LIG 1 -0.700 0.356 0.062 0.00 0.00 -0.012 A ATOM 15 C LIG 1 -1.592 -0.424 -0.677 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -3.395 2.134 2.102 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -2.974 -0.375 -0.453 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -4.709 1.787 1.902 0.00 0.00 +0.092 A BRANCH 10 22 ATOM 19 C LIG 1 -8.360 -1.304 0.045 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.392 0.041 0.406 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -7.208 0.710 0.726 0.00 0.00 +0.026 A ATOM 22 C LIG 1 -5.977 0.038 0.673 0.00 0.00 +0.047 A ATOM 23 C LIG 1 -5.957 -1.319 0.326 0.00 0.00 +0.026 A ATOM 24 C LIG 1 -7.145 -1.984 0.010 0.00 0.00 +0.002 A ENDBRANCH 10 22 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 N LIG 1 4.901 -0.032 -0.604 0.00 0.00 -0.307 N ATOM 26 H LIG 1 5.257 -0.386 -1.486 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 5.776 -0.385 0.504 0.00 0.00 +0.178 C BRANCH 27 28 ATOM 28 C LIG 1 7.209 -0.481 0.106 0.00 0.00 +0.122 A ATOM 29 O LIG 1 7.475 -1.167 -1.046 0.00 0.00 -0.466 OA ATOM 30 C LIG 1 8.821 -1.134 -1.223 0.00 0.00 +0.195 A ATOM 31 C LIG 1 9.425 -0.436 -0.204 0.00 0.00 +0.041 A ATOM 32 C LIG 1 8.383 -0.011 0.657 0.00 0.00 +0.046 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 6 25 TORSDOF 5