REMARK Name = BDB024816 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.521 -3.098 0.552 0.00 0.00 +0.407 C ATOM 2 N LIG 1 3.475 -1.805 0.001 0.00 0.00 -0.234 N ATOM 3 C LIG 1 4.759 -1.079 -0.088 0.00 0.00 +0.082 C ATOM 4 C LIG 1 5.663 -1.671 -1.181 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.631 0.431 -0.345 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.454 1.006 0.413 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.220 0.303 -0.073 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.005 0.983 -0.292 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.712 2.316 -0.131 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.566 2.452 -0.425 0.00 0.00 +0.113 A ATOM 11 N LIG 1 -1.100 1.246 -0.822 0.00 0.00 -0.319 N ATOM 12 C LIG 1 -0.112 0.289 -0.738 0.00 0.00 +0.070 A ATOM 13 C LIG 1 -0.089 -1.083 -0.994 0.00 0.00 +0.030 A ATOM 14 C LIG 1 1.114 -1.754 -0.750 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.258 -1.096 -0.273 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.567 -3.699 0.787 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 2.334 -4.895 1.504 0.00 0.00 +0.282 C ATOM 18 O LIG 1 2.303 -3.614 0.877 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 -2.456 0.999 -1.278 0.00 0.00 +0.219 C BRANCH 19 20 ATOM 20 C LIG 1 -3.256 0.226 -0.248 0.00 0.00 +0.233 C ATOM 21 N LIG 1 -3.877 -0.905 -0.738 0.00 0.00 -0.310 N ATOM 22 H LIG 1 -3.717 -1.198 -1.692 0.00 0.00 +0.149 HD ATOM 23 O LIG 1 -3.346 0.580 0.924 0.00 0.00 -0.274 OA BRANCH 21 24 ATOM 24 C LIG 1 -4.525 -1.855 0.141 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 -3.754 -3.142 0.166 0.00 0.00 -0.012 A ATOM 26 C LIG 1 -2.620 -3.280 0.963 0.00 0.00 +0.115 A ATOM 27 N LIG 1 -1.858 -4.396 1.005 0.00 0.00 -0.263 NA ATOM 28 C LIG 1 -2.239 -5.426 0.222 0.00 0.00 +0.111 A ATOM 29 C LIG 1 -3.345 -5.390 -0.610 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -4.111 -4.228 -0.639 0.00 0.00 +0.008 A ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 31 ATOM 31 C LIG 1 -1.339 3.730 -0.362 0.00 0.00 +0.097 C BRANCH 31 32 ATOM 32 C LIG 1 -0.613 4.797 0.451 0.00 0.00 +0.151 C BRANCH 32 33 ATOM 33 N LIG 1 -1.271 6.088 0.361 0.00 0.00 -0.271 N ATOM 34 N LIG 1 -2.563 6.216 0.724 0.00 0.00 -0.180 NA ATOM 35 C LIG 1 -2.823 7.510 0.520 0.00 0.00 +0.134 A ATOM 36 C LIG 1 -1.709 8.207 0.019 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -0.719 7.259 -0.076 0.00 0.00 +0.108 A ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 10 31 TORSDOF 8