REMARK Name = BDB019330 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.017 -2.151 -0.501 0.00 0.00 +0.048 C ATOM 2 C LIG 1 3.503 -0.998 0.334 0.00 0.00 +0.004 A ATOM 3 C LIG 1 2.183 -0.465 0.092 0.00 0.00 +0.142 A ATOM 4 N LIG 1 1.730 0.577 0.922 0.00 0.00 -0.303 N ATOM 5 C LIG 1 0.482 0.857 0.479 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.627 1.760 0.817 0.00 0.00 +0.075 C ATOM 7 C LIG 1 -1.526 1.584 -0.484 0.00 0.00 +0.073 C ATOM 8 N LIG 1 -2.969 1.512 -0.328 0.00 0.00 -0.281 NA ATOM 9 C LIG 1 -3.429 0.113 -0.454 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -4.381 -0.386 0.614 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -5.618 -0.683 0.034 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -6.685 -1.166 0.761 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -6.486 -1.357 2.129 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -5.250 -1.069 2.733 0.00 0.00 +0.020 A ATOM 15 CL LIG 1 -7.779 -1.955 3.096 0.00 0.00 -0.083 Cl ATOM 16 N LIG 1 -5.589 -0.428 -1.327 0.00 0.00 -0.283 N ATOM 17 H LIG 1 -6.354 -0.559 -1.972 0.00 0.00 +0.155 HD ATOM 18 C LIG 1 -4.183 -0.579 1.973 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -2.156 -0.765 -0.593 0.00 0.00 +0.066 C ATOM 20 C LIG 1 -4.344 0.043 -1.733 0.00 0.00 +0.243 C ATOM 21 O LIG 1 -4.048 0.337 -2.882 0.00 0.00 -0.273 OA ATOM 22 C LIG 1 -1.105 0.208 -1.146 0.00 0.00 +0.067 C ATOM 23 C LIG 1 0.240 0.022 -0.569 0.00 0.00 +0.069 A ATOM 24 C LIG 1 2.474 1.131 1.948 0.00 0.00 +0.094 A ATOM 25 C LIG 1 3.710 0.658 2.171 0.00 0.00 +0.031 A ATOM 26 N LIG 1 1.277 -0.801 -0.823 0.00 0.00 -0.232 NA ATOM 27 C LIG 1 4.231 -0.423 1.331 0.00 0.00 +0.045 A ENDROOT BRANCH 19 28 ATOM 28 C LIG 1 -2.303 -2.089 -1.319 0.00 0.00 -0.001 A ATOM 29 C LIG 1 -2.611 -3.245 -0.592 0.00 0.00 +0.164 A ATOM 30 F LIG 1 -2.761 -3.177 0.740 0.00 0.00 -0.202 F ATOM 31 C LIG 1 -2.764 -4.451 -1.262 0.00 0.00 +0.165 A ATOM 32 CL LIG 1 -3.155 -5.897 -0.426 0.00 0.00 -0.059 Cl ATOM 33 N LIG 1 -2.639 -4.598 -2.599 0.00 0.00 -0.241 NA ATOM 34 C LIG 1 -2.338 -3.478 -3.289 0.00 0.00 +0.113 A ATOM 35 C LIG 1 -2.165 -2.227 -2.707 0.00 0.00 +0.026 A ENDBRANCH 19 28 BRANCH 27 36 ATOM 36 C LIG 1 5.616 -0.901 1.623 0.00 0.00 +0.247 C ATOM 37 N LIG 1 6.632 -0.437 0.799 0.00 0.00 -0.293 N ATOM 38 C LIG 1 6.503 0.719 -0.100 0.00 0.00 +0.136 C ATOM 39 C LIG 1 7.509 0.649 -1.253 0.00 0.00 +0.179 C ATOM 40 O LIG 1 8.846 0.472 -0.764 0.00 0.00 -0.377 OA ATOM 41 C LIG 1 8.947 -0.756 -0.029 0.00 0.00 +0.179 C ATOM 42 C LIG 1 8.009 -0.754 1.181 0.00 0.00 +0.136 C ATOM 43 O LIG 1 5.800 -1.658 2.573 0.00 0.00 -0.270 OA ENDBRANCH 27 36 BRANCH 8 44 ATOM 44 C LIG 1 -3.654 2.438 0.546 0.00 0.00 +0.089 C BRANCH 44 45 ATOM 45 C LIG 1 -3.370 3.855 0.133 0.00 0.00 +0.003 C ATOM 46 C LIG 1 -3.921 4.399 -1.162 0.00 0.00 +0.005 C ATOM 47 C LIG 1 -4.468 4.890 0.149 0.00 0.00 +0.005 C ENDBRANCH 44 45 ENDBRANCH 8 44 TORSDOF 4