REMARK Name = BDB057035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.266 -0.141 0.066 0.00 0.00 -0.290 N ATOM 2 H LIG 1 1.116 -0.121 1.073 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 4.850 -0.014 -3.145 0.00 0.00 +0.067 C ATOM 4 C LIG 1 4.443 0.001 -1.700 0.00 0.00 +0.057 A ATOM 5 N LIG 1 3.078 -0.073 -1.471 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 2.614 -0.069 -0.244 0.00 0.00 +0.167 A ATOM 7 C LIG 1 3.566 0.017 0.856 0.00 0.00 +0.179 A ATOM 8 N LIG 1 4.912 0.090 0.600 0.00 0.00 -0.295 N ATOM 9 C LIG 1 5.535 0.160 1.826 0.00 0.00 +0.076 A ATOM 10 C LIG 1 4.503 0.124 2.748 0.00 0.00 +0.140 A ATOM 11 N LIG 1 3.276 0.035 2.139 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.353 0.081 -0.709 0.00 0.00 +0.116 A BRANCH 9 13 ATOM 13 C LIG 1 7.041 0.258 2.182 0.00 0.00 +0.038 A ATOM 14 C LIG 1 8.119 0.297 1.333 0.00 0.00 +0.115 A ATOM 15 N LIG 1 9.228 0.384 2.131 0.00 0.00 -0.284 N ATOM 16 H LIG 1 10.202 0.433 1.850 0.00 0.00 +0.188 HD ATOM 17 N LIG 1 8.943 0.404 3.442 0.00 0.00 -0.182 NA ATOM 18 C LIG 1 7.610 0.327 3.473 0.00 0.00 +0.144 A ENDBRANCH 9 13 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 C LIG 1 0.169 -0.235 -0.729 0.00 0.00 +0.091 A ATOM 20 S LIG 1 0.130 -0.299 -2.443 0.00 0.00 +0.027 S ATOM 21 N LIG 1 -1.513 -0.377 -2.603 0.00 0.00 -0.212 NA ATOM 22 C LIG 1 -2.076 -0.402 -1.390 0.00 0.00 +0.075 A ATOM 23 C LIG 1 -1.143 -0.294 -0.295 0.00 0.00 +0.058 A BRANCH 22 24 ATOM 24 C LIG 1 -3.598 -0.459 -1.294 0.00 0.00 +0.155 C BRANCH 24 25 ATOM 25 N LIG 1 -4.147 0.679 -0.490 0.00 0.00 -0.289 NA ATOM 26 C LIG 1 -3.720 1.980 -1.060 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -4.653 3.155 -0.725 0.00 0.00 +0.015 C ATOM 28 C LIG 1 -5.356 2.945 0.606 0.00 0.00 +0.002 C ATOM 29 C LIG 1 -6.135 1.629 0.604 0.00 0.00 +0.015 C ATOM 30 C LIG 1 -5.615 0.622 -0.430 0.00 0.00 +0.085 C ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 C LIG 1 -3.881 -1.858 -0.726 0.00 0.00 +0.064 A ATOM 32 N LIG 1 -4.229 -2.828 -1.616 0.00 0.00 -0.258 NA ATOM 33 C LIG 1 -4.482 -4.066 -1.138 0.00 0.00 +0.111 A ATOM 34 C LIG 1 -4.424 -4.400 0.203 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -4.090 -3.405 1.112 0.00 0.00 +0.003 A ATOM 36 C LIG 1 -3.818 -2.121 0.647 0.00 0.00 +0.025 A ENDBRANCH 24 31 ENDBRANCH 22 24 ENDBRANCH 1 19 TORSDOF 6