REMARK Name = BDB005395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.285 0.683 0.149 0.00 0.00 +0.164 A ATOM 2 N LIG 1 1.351 -0.336 0.374 0.00 0.00 -0.321 N ATOM 3 C LIG 1 0.135 0.273 0.320 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.297 -0.070 0.446 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -1.885 1.300 0.302 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -0.900 2.299 0.050 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.045 3.495 -0.146 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.354 1.591 0.099 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.673 1.861 -0.007 0.00 0.00 -0.221 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.288 1.534 0.195 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.250 0.882 0.999 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.914 0.019 2.184 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.621 1.091 0.743 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.045 1.965 -0.255 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.100 2.647 -1.005 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.614 3.736 -2.236 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.739 2.441 -0.783 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.753 -1.057 -0.616 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.142 -2.356 -0.243 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.547 -3.285 -1.205 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.564 -2.928 -2.551 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -3.062 -4.074 -3.732 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.176 -1.650 -2.943 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.770 -0.721 -1.982 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 4.596 1.290 0.864 0.00 0.00 +0.167 A ATOM 26 C LIG 1 3.741 0.523 0.088 0.00 0.00 +0.152 A ATOM 27 N LIG 1 4.177 -0.376 -0.823 0.00 0.00 -0.212 NA ATOM 28 C LIG 1 5.513 -0.494 -0.939 0.00 0.00 +0.233 A ATOM 29 N LIG 1 6.431 0.178 -0.218 0.00 0.00 -0.223 NA ATOM 30 C LIG 1 5.942 1.056 0.680 0.00 0.00 +0.161 A BRANCH 25 32 ATOM 31 C LIG 1 4.196 3.494 1.360 0.00 0.00 +0.277 C ATOM 32 O LIG 1 4.161 2.144 1.831 0.00 0.00 -0.491 OA ENDBRANCH 25 32 BRANCH 28 33 ATOM 33 C LIG 1 6.001 -1.453 -1.896 0.00 0.00 +0.140 C ATOM 34 N LIG 1 6.387 -2.239 -2.662 0.00 0.00 -0.188 NA ENDBRANCH 28 33 ENDBRANCH 1 26 BRANCH 2 35 ATOM 35 C LIG 1 1.554 -1.747 0.680 0.00 0.00 +0.083 C ATOM 36 C LIG 1 2.602 -2.017 1.762 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.779 -2.599 -0.568 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6