REMARK Name = BDB021402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.532 -2.926 -1.460 0.00 0.00 +0.017 C ATOM 2 C LIG 1 0.787 -1.938 -0.304 0.00 0.00 +0.007 C ATOM 3 C LIG 1 1.628 -0.774 -0.823 0.00 0.00 -0.027 A ATOM 4 C LIG 1 0.992 0.388 -1.309 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.748 1.453 -1.823 0.00 0.00 +0.014 A ATOM 6 C LIG 1 3.140 1.381 -1.855 0.00 0.00 +0.014 A ATOM 7 C LIG 1 3.781 0.243 -1.367 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -0.497 0.508 -1.330 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -1.026 1.477 -1.869 0.00 0.00 -0.270 OA ATOM 10 N LIG 1 -1.223 -0.513 -0.720 0.00 0.00 -0.294 N ATOM 11 C LIG 1 3.033 -0.838 -0.880 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -0.553 -1.384 0.233 0.00 0.00 +0.119 C ATOM 13 C LIG 1 1.462 -2.698 0.857 0.00 0.00 +0.017 C ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 5.260 0.171 -1.431 0.00 0.00 +0.247 C ATOM 15 N LIG 1 5.940 -0.276 -0.310 0.00 0.00 -0.287 N ATOM 16 C LIG 1 7.397 -0.273 -0.287 0.00 0.00 +0.102 C ATOM 17 C LIG 1 7.870 1.175 0.001 0.00 0.00 +0.182 C ATOM 18 O LIG 1 7.378 1.644 1.278 0.00 0.00 -0.376 OA ATOM 19 C LIG 1 5.956 1.439 1.417 0.00 0.00 +0.182 C ATOM 20 C LIG 1 7.685 -1.183 0.914 0.00 0.00 +0.027 C ATOM 21 C LIG 1 6.454 -1.014 1.827 0.00 0.00 +0.027 C ATOM 22 C LIG 1 5.556 -0.021 1.077 0.00 0.00 +0.102 C ATOM 23 O LIG 1 5.823 0.502 -2.470 0.00 0.00 -0.270 OA ENDBRANCH 7 14 BRANCH 10 24 ATOM 24 C LIG 1 -2.679 -0.349 -0.616 0.00 0.00 +0.141 C BRANCH 24 25 ATOM 25 C LIG 1 -3.095 0.601 0.531 0.00 0.00 +0.149 C BRANCH 25 26 ATOM 26 C LIG 1 -4.565 1.102 0.446 0.00 0.00 +0.088 C ATOM 27 N LIG 1 -4.825 1.823 -0.811 0.00 0.00 -0.307 NA ATOM 28 H LIG 1 -4.091 2.512 -0.984 0.00 0.00 +0.123 HD ATOM 29 C LIG 1 -6.120 2.509 -0.758 0.00 0.00 +0.117 C ATOM 30 C LIG 1 -7.259 1.616 -0.324 0.00 0.00 -0.030 A ATOM 31 C LIG 1 -7.014 0.417 0.369 0.00 0.00 -0.041 A ATOM 32 C LIG 1 -8.089 -0.380 0.785 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -9.401 0.023 0.536 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -9.648 1.219 -0.134 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.583 2.013 -0.560 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -5.594 -0.039 0.611 0.00 0.00 +0.056 C ENDBRANCH 25 26 BRANCH 25 37 ATOM 37 O LIG 1 -2.867 -0.031 1.805 0.00 0.00 -0.389 OA ATOM 38 H LIG 1 -3.306 -0.897 1.794 0.00 0.00 +0.210 HD ENDBRANCH 25 37 ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 5